Cas no 52914-18-8 (Benzenamine, 2-[(4-methylphenyl)sulfonyl]-N-phenyl-)

Benzenamine, 2-[(4-methylphenyl)sulfonyl]-N-phenyl- structure
52914-18-8 structure
Product Name:Benzenamine, 2-[(4-methylphenyl)sulfonyl]-N-phenyl-
CAS No:52914-18-8
MF:C19H17NO2S
MW:323.40878367424
CID:358484
PubChem ID:2306891
Update Time:2025-04-19

Benzenamine, 2-[(4-methylphenyl)sulfonyl]-N-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 2-[(4-methylphenyl)sulfonyl]-N-phenyl-
    • 2-(4-methylphenyl)sulfonyl-N-phenylaniline
    • DTXSID80367981
    • Z56754471
    • Oprea1_323753
    • 52914-18-8
    • AKOS030580973
    • Inchi: 1S/C19H17NO2S/c1-15-11-13-17(14-12-15)23(21,22)19-10-6-5-9-18(19)20-16-7-3-2-4-8-16/h2-14,20H,1H3
    • InChI Key: NSIRXXNIPHHKEG-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(C1=CC=CC=C1NC1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 323.09811
  • Monoisotopic Mass: 323.09799996g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 456
  • 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: 5.2
  • Topological Polar Surface Area: 54.6?2

Experimental Properties

  • PSA: 46.17
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