Cas no 1443-94-3 (Benzenesulfonamide,4-methyl-N-[(1-piperidinylamino)carbonyl]-)

Benzenesulfonamide,4-methyl-N-[(1-piperidinylamino)carbonyl]- structure
1443-94-3 structure
Product Name:Benzenesulfonamide,4-methyl-N-[(1-piperidinylamino)carbonyl]-
CAS No:1443-94-3
MF:C13H19N3O3S
MW:297.37326169014
CID:161668
PubChem ID:74045
Update Time:2025-04-19

Benzenesulfonamide,4-methyl-N-[(1-piperidinylamino)carbonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide,4-methyl-N-[(1-piperidinylamino)carbonyl]-
    • 1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylurea
    • 1-(Piperidyl)-3-(4-tolylsulfonyl)urea
    • 1-PTU
    • 4-methyl-N-(piperidin-1-ylcarbamoyl)benzenesulfonamide
    • Benzenesulfonamide, 4-methyl-N-((1-piperidinylamino)carbonyl)-
    • 1443-94-3
    • 1-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]piperidine
    • DTXSID70162669
    • Inchi: 1S/C13H19N3O3S/c1-11-5-7-12(8-6-11)20(18,19)15-13(17)14-16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H2,14,15,17)
    • InChI Key: KJEOOPXZTLEKJY-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(NC(NN1CCCCC1)=O)(=O)=O

Computed Properties

  • Exact Mass: 297.11487
  • Monoisotopic Mass: 297.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • 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: 1.3
  • Topological Polar Surface Area: 86.9A^2

Experimental Properties

  • Density: 1.32
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.604
  • PSA: 78.51
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