Cas no 26815-49-6 (3-(Benzenesulfonyl)aniline)

3-(Benzenesulfonyl)aniline is a sulfonamide derivative characterized by the presence of a benzenesulfonyl group attached to the aniline moiety. This compound is of interest in organic synthesis and pharmaceutical research due to its versatile reactivity, particularly as an intermediate in the preparation of more complex sulfonamide-based structures. Its benzenesulfonyl group enhances stability and influences electronic properties, making it useful in medicinal chemistry for designing bioactive molecules. The compound’s well-defined structure allows for precise modifications, facilitating applications in drug discovery and material science. High purity grades are available to ensure consistency in research and industrial processes. Proper handling is advised due to potential sensitivity to light and moisture.
3-(Benzenesulfonyl)aniline structure
3-(Benzenesulfonyl)aniline structure
Product Name:3-(Benzenesulfonyl)aniline
CAS No:26815-49-6
MF:C12H11NO2S
MW:233.286241769791
MDL:MFCD00089052
CID:250088
PubChem ID:486361
Update Time:2025-05-20

3-(Benzenesulfonyl)aniline Chemical and Physical Properties

Names and Identifiers

    • Benzenamine,3-(phenylsulfonyl)-
    • 3-(benzenesulfonyl)aniline
    • 1-amino-3-phenylsulfonylbenzene
    • 3-(Phenylsulfonyl)phenylamine
    • 3-Amino-diphenylsulfon
    • 3-benzenesulfonyl-aniline
    • 3-Benzenesulfonyl-phenylamine
    • 3-Benzolsulfonyl-anilin
    • 3-Phenylsulfon-anilin
    • Benzenamine,3-(phenylsulfonyl)
    • Phenyl-(3-amino-phenyl)-sulfon
    • BBA81549
    • CS-0215903
    • 3-aminodiphenyl sulfone
    • 3-(PHENYLSULFONYL)ANILINE
    • 3-(phenylsulfonyl)benzenamine
    • 26815-49-6
    • AT13309
    • AKOS022658655
    • Z2050083671
    • CHEMBL432327
    • SCHEMBL487472
    • DTXSID60333144
    • EN300-307660
    • 3-(Benzenesulfonyl)aniline
    • MDL: MFCD00089052
    • Inchi: 1S/C12H11NO2S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-9H,13H2
    • InChI Key: RNDWVSUBNRMXMN-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(C1C=CC=C(C=1)N)(=O)=O

Computed Properties

  • Exact Mass: 233.05100
  • Monoisotopic Mass: 233.05104977g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 314
  • 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: 1.7
  • Topological Polar Surface Area: 68.5?2

Experimental Properties

  • PSA: 68.54000
  • LogP: 3.76360

3-(Benzenesulfonyl)aniline Customs Data

  • HS CODE:2921420090
  • Customs Data:

    China Customs Code:

    2921420090

    Overview:

    2921420090 Other aniline derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-(Benzenesulfonyl)aniline Pricemore >>

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$ 50.00 2022-06-07
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Additional information on 3-(Benzenesulfonyl)aniline

3-(Benzenesulfonyl)aniline: A Comprehensive Overview

3-(Benzenesulfonyl)aniline, also known by its CAS number CAS No 26815-49-6, is a chemical compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is a derivative of aniline, where the sulfonyl group is attached to the benzene ring at the meta position. The structure of 3-(Benzenesulfonyl)aniline consists of a benzene ring with a sulfonyl group (-SO?-) and an amino group (-NH?) in the meta positions, making it a valuable intermediate in various chemical syntheses.

The synthesis of 3-(Benzenesulfonyl)aniline typically involves the sulfonation of aniline derivatives. Recent studies have explored more efficient and environmentally friendly methods for this synthesis, such as using microwave-assisted reactions or catalytic systems to enhance reaction yields and reduce byproducts. These advancements have made the production of 3-(Benzenesulfonyl)aniline more sustainable and cost-effective, which is crucial for its application in large-scale industrial processes.

In terms of applications, 3-(Benzenesulfonyl)aniline serves as an important building block in the synthesis of various pharmaceuticals, agrochemicals, and advanced materials. For instance, it has been used as an intermediate in the development of anti-inflammatory drugs and anticancer agents. Recent research has highlighted its potential as a precursor for bioactive compounds with improved pharmacokinetic properties, making it a valuable asset in drug discovery pipelines.

The chemical properties of 3-(Benzenesulfonyl)aniline are well-documented, including its solubility in organic solvents, stability under various reaction conditions, and reactivity towards nucleophilic substitutions. These properties make it versatile for use in diverse chemical transformations. Moreover, its ability to form stable intermediates has been leveraged in the synthesis of complex molecules with high structural complexity.

From a pharmacological perspective, 3-(Benzenesulfonyl)aniline has shown promising activity in preclinical studies targeting chronic inflammatory diseases and cancer. Researchers have reported that derivatives of this compound exhibit potent anti-inflammatory effects by inhibiting key enzymes involved in inflammation pathways. Additionally, its role as a scaffold for designing anticancer agents has been explored, with some derivatives demonstrating selective cytotoxicity against cancer cells while sparing normal cells.

The increasing demand for sustainable chemical processes has led to innovative approaches in handling and synthesizing 3-(Benzenesulfonyl)aniline. Green chemistry principles have been integrated into its production methods, reducing waste and minimizing the use of hazardous reagents. These eco-friendly practices align with global efforts to promote environmentally responsible chemical manufacturing.

In conclusion, 3-(Benzenesulfonyl)aniline, identified by its CAS number CAS No 26815-49-6, is a versatile compound with significant implications across multiple disciplines. Its role as an intermediate in drug development, coupled with advancements in its synthesis and application, underscores its importance in modern chemistry and pharmacology. As research continues to uncover new potentials for this compound, it is poised to play an even greater role in addressing pressing challenges in healthcare and materials science.

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