Cas no 89840-86-8 (Benzenesulfonamide, N,N-bis(2-methylpropyl)-4-nitro-)

Benzenesulfonamide, N,N-bis(2-methylpropyl)-4-nitro- structure
89840-86-8 structure
Product Name:Benzenesulfonamide, N,N-bis(2-methylpropyl)-4-nitro-
CAS No:89840-86-8
MF:C14H22N2O4S
MW:314.400482654572
CID:587499
PubChem ID:838397
Update Time:2025-04-19

Benzenesulfonamide, N,N-bis(2-methylpropyl)-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide, N,N-bis(2-methylpropyl)-4-nitro-
    • N,N-bis(2-methylpropyl)-4-nitrobenzenesulfonamide
    • DTXSID80356951
    • Oprea1_662616
    • AKOS002969573
    • Oprea1_570203
    • 89840-86-8
    • MDL: MFCD00416905
    • Inchi: 1S/C14H22N2O4S/c1-11(2)9-15(10-12(3)4)21(19,20)14-7-5-13(6-8-14)16(17)18/h5-8,11-12H,9-10H2,1-4H3
    • InChI Key: RYDDEEBHAMRHPO-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)[N+](=O)[O-])(N(CC(C)C)CC(C)C)(=O)=O

Computed Properties

  • Exact Mass: 314.13002836g/mol
  • Monoisotopic Mass: 314.13002836g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 419
  • 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: 3.6
  • Topological Polar Surface Area: 91.6?2
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