Cas no 116-47-2 (Benzenesulfonamide,4-amino-N-cyano-)

Benzenesulfonamide,4-amino-N-cyano- structure
116-47-2 structure
Product Name:Benzenesulfonamide,4-amino-N-cyano-
CAS No:116-47-2
MF:C7H7N3O2S
MW:197.214379549026
CID:165068
PubChem ID:67003
Update Time:2025-04-19

Benzenesulfonamide,4-amino-N-cyano- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide,4-amino-N-cyano-
    • 4-amino-N-cyanobenzenesulfonamide
    • N-Cyano-4-aminophenylsulfonamide
    • Sulcimide
    • N-Cyano-4-aminobenzenesulfonamide
    • DTXSID90151257
    • Benzenesulfonamide, 4-amino-N-cyano-
    • SCHEMBL8645355
    • p-aminophenylsulfonylcyanamide
    • CHEMBL141646
    • 116-47-2
    • Inchi: 1S/C7H7N3O2S/c8-5-10-13(11,12)7-3-1-6(9)2-4-7/h1-4,10H,9H2
    • InChI Key: NXBPVAODVMAXNK-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)N)(NC#N)(=O)=O

Computed Properties

  • Exact Mass: 197.02601
  • Monoisotopic Mass: 197.026
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 302
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.3
  • Topological Polar Surface Area: 104A^2

Experimental Properties

  • Density: 1.453
  • Boiling Point: 397.5°Cat760mmHg
  • Flash Point: 194.2°C
  • Refractive Index: 1.615
  • PSA: 95.98
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