Cas no 89840-75-5 (Benzenesulfonamide, 3-nitro-N-octyl-)

Benzenesulfonamide, 3-nitro-N-octyl- structure
89840-75-5 structure
Product Name:Benzenesulfonamide, 3-nitro-N-octyl-
CAS No:89840-75-5
MF:C14H22N2O4S
MW:314.400482654572
CID:587508
PubChem ID:19681347
Update Time:2025-04-19

Benzenesulfonamide, 3-nitro-N-octyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide, 3-nitro-N-octyl-
    • 3-nitro-N-octylbenzenesulfonamide
    • AKOS003836349
    • DTXSID00599186
    • 89840-75-5
    • 3-Nitro-N-octylbenzene-1-sulfonamide
    • Inchi: 1S/C14H22N2O4S/c1-2-3-4-5-6-7-11-15-21(19,20)14-10-8-9-13(12-14)16(17)18/h8-10,12,15H,2-7,11H2,1H3
    • InChI Key: DNMFNIDIZOLZLL-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C(C=1)[N+](=O)[O-])(NCCCCCCCC)(=O)=O

Computed Properties

  • Exact Mass: 314.13002836g/mol
  • Monoisotopic Mass: 314.13002836g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 9
  • Complexity: 400
  • 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: 4.1
  • Topological Polar Surface Area: 100?2
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