Cas no 99642-25-8 (3-(propane-2-sulfonamido)benzoic acid)

3-(propane-2-sulfonamido)benzoic acid structure
99642-25-8 structure
Product Name:3-(propane-2-sulfonamido)benzoic acid
CAS No:99642-25-8
MF:C10H13NO4S
MW:243.27952170372
CID:750140
PubChem ID:13609528
Update Time:2025-04-19

3-(propane-2-sulfonamido)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-[[(1-methylethyl)sulfonyl]amino]-
    • 3-(propan-2-ylsulfonylamino)benzoic acid
    • 3-(propane-2-sulfonamido)benzoic acid
    • 3-(1-methylethylsulfonamido)benzoicacid
    • SB81173
    • SCHEMBL4200531
    • EN300-1006588
    • DTXSID20544936
    • 3-(1-methylethylsulfonamido)benzoic acid
    • Z599618720
    • 99642-25-8
    • 3-[(Propane-2-sulfonyl)amino]benzoic acid
    • Inchi： 1S/C10H13NO4S/c1-7(2)16(14,15)11-9-5-3-4-8(6-9)10(12)13/h3-7,11H,1-2H3,(H,12,13)
    • InChI Key： NLNPMQYZTCVRSB-UHFFFAOYSA-N
    • SMILES： S(C(C)C)(NC1C=CC=C(C(=O)O)C=1)(=O)=O

Computed Properties

  • Exact Mass: 243.05652907g/mol
  • Monoisotopic Mass: 243.05652907g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 344
  • 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: 1.2
  • Topological Polar Surface Area: 91.8?2

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