Cas no 7472-20-0 (4-amino-n-(3,5-dinitrophenyl)benzenesulfonamide)

4-amino-n-(3,5-dinitrophenyl)benzenesulfonamide structure
7472-20-0 structure
Product Name:4-amino-n-(3,5-dinitrophenyl)benzenesulfonamide
CAS No:7472-20-0
MF:C12H10N4O6S
MW:338.296000957489
CID:980050
PubChem ID:345058
Update Time:2025-04-19

4-amino-n-(3,5-dinitrophenyl)benzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • 4-amino-n-(3,5-dinitrophenyl)benzenesulfonamide
    • DTXSID00322911
    • NSC402281
    • NSC-402281
    • 7472-20-0
    • Inchi: 1S/C12H10N4O6S/c13-8-1-3-12(4-2-8)23(21,22)14-9-5-10(15(17)18)7-11(6-9)16(19)20/h1-7,14H,13H2
    • InChI Key: WSFLPDVEUVXWFA-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)N)(NC1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])(=O)=O

Computed Properties

  • Exact Mass: 338.0322
  • Monoisotopic Mass: 338.03210523g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 521
  • 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: 2
  • Topological Polar Surface Area: 172?2

Experimental Properties

  • PSA: 158.47
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