Cas no 80-37-5 (Benzenesulfonamide,N-(3-nitrophenyl)-)

Benzenesulfonamide,N-(3-nitrophenyl)- structure
80-37-5 structure
Product Name:Benzenesulfonamide,N-(3-nitrophenyl)-
CAS No:80-37-5
MF:C12H10N2O4S
MW:278.283801555634
CID:723702
PubChem ID:66459
Update Time:2025-04-19

Benzenesulfonamide,N-(3-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide,N-(3-nitrophenyl)-
    • N-(3-nitrophenyl)benzenesulfonamide
    • Benzenesulfonanilide,3'-nitro
    • Benzolsulfonsaeure-<3-nitro-anilid>
    • NSC-29058
    • CHEMBL435519
    • m-(phenylsulfonamido)-nitrobenzene
    • SR-01000416252
    • EINECS 201-273-0
    • DTXSID40229995
    • 80-37-5
    • NSC29058
    • Benzenesulfonanilide, 3'-nitro-
    • EU-0003195
    • N-(m-Nitrophenyl)benzenesulphonamide
    • NSC 29058
    • Z45631653
    • NS00038073
    • Benzenesulfonamide, N-(3-nitrophenyl)-
    • N-(3-Nitrophenyl)benzenesulfonamide #
    • SR-01000416252-1
    • SCHEMBL893934
    • AKOS001610207
    • DB-417933
    • N-{3-nitrophenyl}benzenesulfonamide
    • AE-641/00009026
    • MDL: MFCD00438172
    • Inchi: 1S/C12H10N2O4S/c15-14(16)11-6-4-5-10(9-11)13-19(17,18)12-7-2-1-3-8-12/h1-9,13H
    • InChI Key: CWBLFCFUSMBFSO-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(NC1C=CC=C(C=1)[N+](=O)[O-])(=O)=O

Computed Properties

  • Exact Mass: 278.03600
  • Monoisotopic Mass: 278.036
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 406
  • 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: 2.4
  • Topological Polar Surface Area: 100A^2

Experimental Properties

  • Density: 1.461
  • Boiling Point: 443.2°C at 760 mmHg
  • Flash Point: 221.8°C
  • Refractive Index: 1.656
  • PSA: 100.37000
  • LogP: 4.07260
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