Cas no 1138-58-5 (4-butoxybenzene-1-sulfonamide)

4-Butoxybenzene-1-sulfonamide is a sulfonamide derivative characterized by its butoxy substituent on the benzene ring, which enhances its solubility and reactivity in organic systems. This compound is primarily utilized in pharmaceutical and agrochemical research as a versatile intermediate for synthesizing bioactive molecules. Its sulfonamide moiety offers strong binding affinity to biological targets, making it valuable in drug discovery. The butoxy group further improves lipophilicity, facilitating membrane permeability in biological applications. The compound exhibits stability under standard laboratory conditions, ensuring reliable performance in synthetic processes. Its well-defined structure and functional groups allow for precise modifications, supporting its use in developing novel therapeutic agents and specialty chemicals.
4-butoxybenzene-1-sulfonamide structure
4-butoxybenzene-1-sulfonamide structure
Product Name:4-butoxybenzene-1-sulfonamide
CAS No:1138-58-5
MF:C10H15NO3S
MW:229.296001672745
CID:135309
PubChem ID:2049187
Update Time:2025-06-23

4-butoxybenzene-1-sulfonamide Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide, 4-butoxy-
    • 4-(N-BUTOXY)BENZENESULPHONAMIDE
    • 4-butoxybenzenesulfonamide
    • (4-n-butoxybenzene)sulfonamide
    • 4-butoxybenzene-1-sulfonamide
    • 4-butoxy-benzenesulfonic acid amide
    • 4-Butoxy-benzolsulfonsaeure-amid
    • benzenesulfonamide,4-butoxy
    • F1084-0540
    • HMS2367A19
    • AKOS001185702
    • DTXSID80365907
    • 1,3-DIHYDROXY-9-ACRIDINECARBOXYLICACID
    • MFCD00833414
    • HMS1790K12
    • SCHEMBL615392
    • CS-0313742
    • BAA13858
    • 4-n-Butoxybenzenesulfonamide
    • 1138-58-5
    • SR-01000248257
    • BDBM50066133
    • FT-0617932
    • MLS000099364
    • PS-4368
    • EN300-7374657
    • GJCVWKPGGOMFQR-UHFFFAOYSA-N
    • SB80391
    • CHEMBL1338403
    • Cambridge id 6990736
    • Z111778060
    • 4-(n-Butoxy)benzenesulfonamide
    • SMR000071512
    • SR-01000248257-1
    • MDL: MFCD00833414
    • Inchi: 1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
    • InChI Key: GJCVWKPGGOMFQR-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)OCCCC)(N)(=O)=O

Computed Properties

  • Exact Mass: 229.07700
  • Monoisotopic Mass: 229.07726451g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 263
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 102-104
  • Boiling Point: 381.9±44.0 °C at 760 mmHg
  • Flash Point: 184.8±28.4 °C
  • PSA: 77.77000
  • LogP: 3.29400
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

4-butoxybenzene-1-sulfonamide Security Information

4-butoxybenzene-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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Additional information on 4-butoxybenzene-1-sulfonamide

Introduction to 4-butoxybenzene-1-sulfonamide (CAS No. 1138-58-5)

4-butoxybenzene-1-sulfonamide, identified by the Chemical Abstracts Service Number (CAS No.) 1138-58-5, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of sulfonamides, which are widely recognized for their diverse biological activities and therapeutic potential. The structural features of 4-butoxybenzene-1-sulfonamide, comprising a butoxy group attached to a benzene ring sulfonated at the para position, contribute to its unique chemical properties and reactivity, making it a valuable intermediate in synthetic chemistry and drug development.

The butoxybenzene moiety in the molecular structure imparts hydrophobicity, while the sulfonamide group enhances water solubility and bioavailability, which are critical factors in pharmaceutical applications. These characteristics make 4-butoxybenzene-1-sulfonamide a promising candidate for further exploration in medicinal chemistry. Recent studies have highlighted its potential role in the development of novel therapeutic agents, particularly in addressing inflammatory and infectious diseases.

In the realm of academic research, 4-butoxybenzene-1-sulfonamide has been investigated for its interaction with biological targets such as enzymes and receptors. Its sulfonamide moiety is known to exhibit inhibitory effects on various metabolic pathways, which has sparked interest in its possible applications as an anti-inflammatory or antimicrobial agent. For instance, preliminary in vitro studies have demonstrated that derivatives of 4-butoxybenzene-1-sulfonamide can modulate the activity of cyclooxygenase (COX) enzymes, which are key players in the inflammatory response.

Moreover, the pharmaceutical industry has shown interest in leveraging the structural framework of 4-butoxybenzene-1-sulfonamide to design more advanced drug candidates. By incorporating modifications such as halogen substitutions or additional functional groups, researchers aim to enhance the compound's binding affinity and selectivity towards specific biological targets. This approach aligns with the growing trend toward structure-based drug design, where computational modeling and high-throughput screening are employed to identify lead compounds with optimal pharmacokinetic profiles.

The synthesis of 4-butoxybenzene-1-sulfonamide involves multi-step organic reactions, typically starting from commercially available precursors like butylated benzene derivatives. The introduction of the sulfonamide group is achieved through nucleophilic substitution or condensation reactions, depending on the synthetic route employed. Advances in synthetic methodologies have enabled more efficient and scalable production processes, facilitating access to larger quantities of this compound for research purposes.

From a chemical perspective, 4-butoxybenzene-1-sulfonamide exhibits interesting physicochemical properties that make it suitable for various applications beyond pharmaceuticals. Its moderate solubility in both organic and aqueous media allows for versatile formulation strategies, which is advantageous in drug delivery systems. Additionally, its stability under standard conditions ensures compatibility with a wide range of analytical techniques used for characterization and quality control.

The growing body of literature on 4-butoxybenzene-1-sulfonamide underscores its significance as a building block in medicinal chemistry. Researchers continue to explore its potential through interdisciplinary collaborations, combining expertise from organic chemistry, biochemistry, and pharmacology. Such collaborative efforts are essential for translating laboratory findings into tangible therapeutic benefits for patients worldwide.

In conclusion, 4-butoxybenzene-1-sulfonamide (CAS No. 1138-58-5) represents a fascinating compound with broad applicability in pharmaceutical research and industrial chemistry. Its unique structural features and demonstrated biological activities position it as a key player in the development of novel drugs targeting various diseases. As scientific understanding advances and new synthetic techniques emerge, the future prospects for this compound remain promising, offering exciting opportunities for innovation and discovery.

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