Cas no 847929-55-9 (3-(4-fluorobenzenesulfonamido)benzoic acid)

3-(4-fluorobenzenesulfonamido)benzoic acid structure
847929-55-9 structure
Product Name:3-(4-fluorobenzenesulfonamido)benzoic acid
CAS No:847929-55-9
MF:C13H10FNO4S
MW:295.286205768585
CID:3101611
PubChem ID:4852058
Update Time:2025-04-21

3-(4-fluorobenzenesulfonamido)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-fluorobenzenesulfonamido)benzoic acid
    • 3-{[(4-fluorophenyl)sulfonyl]amino}benzoic acid
    • Oprea1_733722
    • F2145-0867
    • 3-[(4-fluorophenyl)sulfonylamino]benzoic Acid
    • 3-((4-fluorophenyl)sulfonamido)benzoic acid
    • Z45636569
    • STK982148
    • AKOS000147393
    • CS-0456148
    • 847929-55-9
    • Inchi: 1S/C13H10FNO4S/c14-10-4-6-12(7-5-10)20(18,19)15-11-3-1-2-9(8-11)13(16)17/h1-8,15H,(H,16,17)
    • InChI Key: DQRNDEPUAOBYQO-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)F)(NC1C=CC=C(C(=O)O)C=1)(=O)=O

Computed Properties

  • Exact Mass: 295.03145714Da
  • Monoisotopic Mass: 295.03145714Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 440
  • 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: 1.9
  • Topological Polar Surface Area: 91.9?2

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