Cas no 329941-88-0 (N-Cycloheptyl-4-nitrobenzenesulfonamide)

N-Cycloheptyl-4-nitrobenzenesulfonamide structure
329941-88-0 structure
Product Name:N-Cycloheptyl-4-nitrobenzenesulfonamide
CAS No:329941-88-0
MF:C13H18N2O4S
MW:298.358022212982
CID:3054562
PubChem ID:711144
Update Time:2025-04-21

N-Cycloheptyl-4-nitrobenzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • N-Cycloheptyl-4-nitrobenzenesulfonamide
    • 329941-88-0
    • AKOS001071935
    • Z45540417
    • STK092655
    • SR-01000411257
    • EU-0036054
    • Oprea1_638374
    • cycloheptyl[(4-nitrophenyl)sulfonyl]amine
    • SR-01000411257-1
    • N-cycloheptyl-4-nitrobenzene-1-sulfonamide
    • Inchi: 1S/C13H18N2O4S/c16-15(17)12-7-9-13(10-8-12)20(18,19)14-11-5-3-1-2-4-6-11/h7-11,14H,1-6H2
    • InChI Key: LHYIYPTWWIELKS-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)[N+](=O)[O-])(NC1CCCCCC1)(=O)=O

Computed Properties

  • Exact Mass: 298.09872823Da
  • Monoisotopic Mass: 298.09872823Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 411
  • 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: 3.1
  • Topological Polar Surface Area: 100?2
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