Cas no 56776-55-7 (2-methyl-N-phenyl-benzenesulfonamide)

2-methyl-N-phenyl-benzenesulfonamide structure
56776-55-7 structure
Product Name:2-methyl-N-phenyl-benzenesulfonamide
CAS No:56776-55-7
MF:C13H13NO2S
MW:247.3128221035
CID:382766
PubChem ID:3017048
Update Time:2025-04-19

2-methyl-N-phenyl-benzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-N-phenyl-benzenesulfonamide
    • Benzenesulfonamide, 2-methyl-N-phenyl-
    • 2-methyl-N-phenylbenzenesulfonamide
    • toluene sulphonanilide
    • IFLab1_000511
    • DTXSID40205335
    • HMS1413H05
    • 56776-55-7
    • SCHEMBL633994
    • AKOS008968745
    • MFCD00441481
    • IDI1_008730
    • MDL: MFCD00441481
    • Inchi: 1S/C13H13NO2S/c1-11-7-5-6-10-13(11)17(15,16)14-12-8-3-2-4-9-12/h2-10,14H,1H3
    • InChI Key: KLWUWNHLZITTHU-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1C)(NC1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 247.06679
  • Monoisotopic Mass: 247.06669983g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 328
  • 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: 2.8
  • Topological Polar Surface Area: 54.6?2

Experimental Properties

  • PSA: 46.17
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