Cas no 94088-58-1 (Benzoic acid,2-[(phenylsulfonyl)amino]-, sodium salt (1:1))

Benzoic acid,2-[(phenylsulfonyl)amino]-, sodium salt (1:1) structure
94088-58-1 structure
Product Name:Benzoic acid,2-[(phenylsulfonyl)amino]-, sodium salt (1:1)
CAS No:94088-58-1
MF:C13H10NNaO4S
MW:299.277573108673
CID:804521
PubChem ID:23662606
Update Time:2025-04-19

Benzoic acid,2-[(phenylsulfonyl)amino]-, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-[(phenylsulfonyl)amino]-, sodium salt (1:1)
    • sodium 2-[(phenylsulphonyl)amino]benzoate
    • sodium,2-(benzenesulfonamido)benzoate
    • 94088-58-1
    • EINECS 302-060-6
    • NS00064363
    • SODIUM 2-[(PHENYLSULFONYL)AMINO]BENZOATE
    • DTXSID10240475
    • Sodium 2-((phenylsulphonyl)amino)benzoate
    • Inchi: 1S/C13H11NO4S.Na/c15-13(16)11-8-4-5-9-12(11)14-19(17,18)10-6-2-1-3-7-10;/h1-9,14H,(H,15,16);/q;+1/p-1
    • InChI Key: WFIUDZBQRMFNGH-UHFFFAOYSA-M
    • SMILES: S(C1C=CC=CC=1)(NC1C=CC=CC=1C(=O)[O-])(=O)=O.[Na+]

Computed Properties

  • Exact Mass: 299.022823
  • Monoisotopic Mass: 299.022823
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 415
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 94.7

Experimental Properties

  • Boiling Point: 478.4°Cat760mmHg
  • Flash Point: 243.1°C
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