Cas no 126145-99-1 (4-(4-bromobenzenesulfonamido)benzoic acid)

4-(4-bromobenzenesulfonamido)benzoic acid structure
126145-99-1 structure
Product Name:4-(4-bromobenzenesulfonamido)benzoic acid
CAS No:126145-99-1
MF:C13H10BrNO4S
MW:356.191801548004
CID:232537
PubChem ID:1034760
Update Time:2025-04-19

4-(4-bromobenzenesulfonamido)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-[[(4-bromophenyl)sulfonyl]amino]-
    • 4-(4-BROMO-BENZENESULFONYLAMINO)-BENZOIC ACID
    • 4-[(4-bromophenyl)sulfonylamino]benzoic acid
    • 4-{[(4-bromophenyl)sulfonyl]amino}benzoate
    • 4-{[(4-Bromophenyl)sulfonyl]amino}benzoic acid
    • 126145-99-1
    • 4-(4-Bromophenylsulfonamido)benzoic acid
    • Benzoic acid, 4-[[(4-bromophenyl)sulfonyl]amino]-
    • MFCD00590493
    • 4-(4-Bromo-benzenesulfonylamino)benzoic acid
    • CS-0218177
    • 4-(4-bromobenzenesulfonamido)benzoic acid
    • EN300-00315
    • Z45512279
    • AKOS000114685
    • 4-[(4-Bromobenzene-1-sulfonyl)amino]benzoic acid
    • BFA14599
    • DTXSID80359881
    • 4-(4-Bromophenylsulfonamido)benzoicacid
    • MDL: MFCD00590493
    • Inchi: 1S/C13H10BrNO4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,(H,16,17)
    • InChI Key: LKXOWYHVOFFRHD-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)S(NC1C=CC(C(=O)O)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 353.94357
  • Monoisotopic Mass: 354.95139g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 432
  • 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: 3
  • Topological Polar Surface Area: 91.8?2

Experimental Properties

  • PSA: 86.3

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