Cas no 101251-33-6 (3-Amino-4,5-dimethylbenzene-1-sulfonamide)

3-Amino-4,5-dimethylbenzene-1-sulfonamide is a versatile organic compound characterized by its substituted benzene ring and sulfonamide group. This compound exhibits high stability and selectivity, making it ideal for a variety of applications, including pharmaceutical synthesis and material science. Its unique structural features contribute to its effectiveness in organic reactions, offering a broad range of chemical transformations.
3-Amino-4,5-dimethylbenzene-1-sulfonamide structure
101251-33-6 structure
Product Name:3-Amino-4,5-dimethylbenzene-1-sulfonamide
CAS No:101251-33-6
MF:C8H12N2O2S
MW:200.258080482483
MDL:MFCD07311123
CID:231324
PubChem ID:4961879
Update Time:2025-06-20

3-Amino-4,5-dimethylbenzene-1-sulfonamide Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide,3-amino-4,5-dimethyl-
    • 3,4-Xylenesulfonamide,5-amino-(6CI)
    • 3-AMINO-4,5-DIMETHYLBENZENESULFONAMIDE
    • 2.3-Dimethylanilin-5-sulfonamid
    • Benzenesulfonamide,3-amino-4,5-dimethyl
    • SB78499
    • 101251-33-6
    • BEA25133
    • MFCD07311123
    • Benzenesulfonamide, 3-amino-4,5-dimethyl-
    • CS-0225512
    • EN300-12410
    • 3-amino-4,5-dimethylbenzene-1-sulfonamide
    • Z90663169
    • DTXSID40406961
    • AT23729
    • AKOS000123059
    • 3-Amino-4,5-dimethylbenzene-1-sulfonamide
    • MDL: MFCD07311123
    • Inchi: 1S/C8H12N2O2S/c1-5-3-7(13(10,11)12)4-8(9)6(5)2/h3-4H,9H2,1-2H3,(H2,10,11,12)
    • InChI Key: YXQMLWCILAYJQY-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C(C)=C(C)C=1)N)(N)(=O)=O

Computed Properties

  • Exact Mass: 200.06200
  • Monoisotopic Mass: 200.06194880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 270
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 94.6?2

Experimental Properties

  • PSA: 94.56000
  • LogP: 2.89530

3-Amino-4,5-dimethylbenzene-1-sulfonamide Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

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3-Amino-4,5-dimethylbenzene-1-sulfonamide Suppliers

Amadis Chemical Company Limited
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(CAS:101251-33-6)3-Amino-4,5-dimethylbenzene-1-sulfonamide
Order Number:A1098310
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 20:23
Price ($):189.0

Additional information on 3-Amino-4,5-dimethylbenzene-1-sulfonamide

Introduction to 3-Amino-4,5-dimethylbenzene-1-sulfonamide (CAS No. 101251-33-6)

3-Amino-4,5-dimethylbenzene-1-sulfonamide, identified by its Chemical Abstracts Service (CAS) number 101251-33-6, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and medicinal chemistry. This compound belongs to the class of sulfonamides, which are well-known for their diverse biological activities and therapeutic applications. The structural features of 3-amino-4,5-dimethylbenzene-1-sulfonamide, including its aromatic ring system modified by amino and sulfonamide functional groups, as well as the presence of methyl substituents at the 4th and 5th positions, contribute to its unique chemical properties and potential biological functions.

The sulfonamide moiety (-SO?NH?) in 3-amino-4,5-dimethylbenzene-1-sulfonamide is a key pharmacophore that interacts with biological targets such as enzymes and receptors. Sulfonamides have a long history of use in medicine, particularly as antimicrobial agents, due to their ability to inhibit bacterial growth by interfering with folic acid synthesis. The structural variability within this class allows for the design of compounds with tailored biological activities, making sulfonamides a valuable scaffold for drug discovery.

In recent years, there has been increasing interest in exploring the therapeutic potential of derivatives of 3-amino-4,5-dimethylbenzene-1-sulfonamide. Research has highlighted its potential in various pharmacological contexts, including anti-inflammatory, anticancer, and antimicrobial applications. The presence of both amino and sulfonamide groups in the molecule enables multiple modes of interaction with biological targets, which can be exploited to develop novel therapeutic strategies.

One of the most compelling aspects of 3-amino-4,5-dimethylbenzene-1-sulfonamide is its versatility as a chemical scaffold. By modifying its structure, researchers can fine-tune its biological activity to target specific diseases or conditions. For instance, studies have demonstrated that derivatives of this compound can exhibit inhibitory effects on certain enzymes involved in cancer progression. The methyl substituents at the 4th and 5th positions of the benzene ring may play a crucial role in determining the compound's binding affinity and selectivity towards biological targets.

The synthesis of 3-amino-4,5-dimethylbenzene-1-sulfonamide involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. The process typically begins with the preparation of a dimethyl-substituted benzene derivative, followed by sulfonation and subsequent amination. Advanced synthetic techniques, such as catalytic hydrogenation and palladium-catalyzed cross-coupling reactions, have been employed to improve the efficiency and scalability of production.

From a computational chemistry perspective, the molecular properties of 3-amino-4,5-dimethylbenzene-1-sulfonamide have been extensively studied using various modeling techniques. Quantum mechanical calculations have provided insights into its electronic structure and reactivity, while molecular dynamics simulations have helped elucidate its interactions with biological targets. These computational studies are essential for guiding experimental efforts and optimizing the design of new derivatives.

The pharmacological evaluation of 3-amino-4,5-dimethylbenzene-1-sulfonamide has revealed several promising applications. In vitro studies have shown that this compound can inhibit the activity of enzymes such as dihydrofolate reductase (DHFR), which is crucial for bacterial proliferation. Additionally, it has demonstrated potential in modulating inflammatory pathways by interacting with cytokine receptors and signaling molecules. These findings suggest that 3-amino-4,5-dimethylbenzene-1-sulfonamide could be a valuable candidate for further development into therapeutic agents.

Recent advances in drug delivery systems have also opened new avenues for utilizing 3-amino-4,5-dimethylbenzene-1-sulfonamide. Nanoparticle-based formulations have been explored as vehicles for delivering this compound to target tissues with high efficiency. Such systems can enhance bioavailability and reduce side effects associated with traditional oral or intravenous administration methods. The encapsulation of 3-amino-4,5-dimethylbenzene-1-sulfonamide within biodegradable polymers or liposomes has shown particular promise in preclinical studies.

The regulatory landscape for developing new pharmaceuticals based on compounds like 3-amino-4,5-dimethylbenzene-1-sulfonamide is stringent but well-established. Clinical trials are essential for evaluating the safety and efficacy of potential drugs before they can be approved for human use. Researchers are currently conducting Phase I and II clinical trials to assess the tolerability and pharmacokinetic profile of derivatives of this compound in human subjects.

The future directions for research on 3-amino-4,5-dimethylbenzene-1-sulfonamide are multifaceted. Further exploration of its structural analogs is expected to yield novel compounds with enhanced therapeutic properties. Additionally, interdisciplinary approaches combining organic chemistry, medicinal chemistry, biochemistry, and computational biology will be crucial in unraveling its full potential.

In conclusion,3-amino-4,5-dimethylbenzene-1-sulfonamide (CAS No. 101251-33-6) is a versatile compound with significant promise in pharmaceutical applications. Its unique structural features make it an attractive scaffold for drug discovery,and ongoing research continues to uncover new therapeutic possibilities。With continued innovation,this compound is poised to make meaningful contributions to modern medicine.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:101251-33-6)3-Amino-4,5-dimethylbenzene-1-sulfonamide
A1098310
Purity:99%
Quantity:1g
Price ($):189.0
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