Cas no 22956-54-3 (Benzenesulfonamide,3-methyl-N-[(propylamino)carbonyl]-)

Benzenesulfonamide,3-methyl-N-[(propylamino)carbonyl]- structure
22956-54-3 structure
Product Name:Benzenesulfonamide,3-methyl-N-[(propylamino)carbonyl]-
CAS No:22956-54-3
MF:C11H16N2O3S
MW:256.321341514587
CID:261078
PubChem ID:211386
Update Time:2025-04-19

Benzenesulfonamide,3-methyl-N-[(propylamino)carbonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide,3-methyl-N-[(propylamino)carbonyl]-
    • 1-(3-methylphenyl)sulfonyl-3-propylurea
    • BRN 3328135
    • 1-Propyl-3-(m-tolylsulfonyl)-urea
    • BDBM50273271
    • Urea, 1-propyl-3-(m-tolylsulfonyl)-
    • DTXSID40177503
    • 22956-54-3
    • 4-11-00-00238 (Beilstein Handbook Reference)
    • CHEMBL505578
    • 1-propyl-3-(m-tolylsulfonyl)urea
    • Inchi: 1S/C11H16N2O3S/c1-3-7-12-11(14)13-17(15,16)10-6-4-5-9(2)8-10/h4-6,8H,3,7H2,1-2H3,(H2,12,13,14)
    • InChI Key: AEQJHMRWXRUFMH-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C(C)C=1)(NC(NCCC)=O)(=O)=O

Computed Properties

  • Exact Mass: 256.08828
  • Monoisotopic Mass: 256.088
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 348
  • 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: 1.8
  • Topological Polar Surface Area: 83.6?2

Experimental Properties

  • Density: 1.21
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.537
  • PSA: 75.27
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