Cas no 71905-93-6 (Benzenesulfonyl chloride, 2-(acetylamino)-)

Benzenesulfonyl chloride, 2-(acetylamino)- structure
71905-93-6 structure
Product Name:Benzenesulfonyl chloride, 2-(acetylamino)-
CAS No:71905-93-6
MF:C8H8ClNO3S
MW:233.672019958496
CID:544839
PubChem ID:12506944
Update Time:2025-04-19

Benzenesulfonyl chloride, 2-(acetylamino)- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonyl chloride, 2-(acetylamino)-
    • 2-(ACETYLAMINO)BENZENESULFONYL CHLORIDE
    • 2-acetamidobenzenesulfonyl chloride
    • 71905-93-6
    • AB60369
    • SCHEMBL1279094
    • DTXSID80500735
    • 2-ACETAMIDOBENZENE-1-SULFONYL CHLORIDE
    • AKOS006333931
    • VKPQLZPZPYQFOK-UHFFFAOYSA-N
    • acetamidobenzenesulfonyl chloride
    • Acetylaminobenzolsulfochlorid
    • Inchi: 1S/C8H8ClNO3S/c1-6(11)10-7-4-2-3-5-8(7)14(9,12)13/h2-5H,1H3,(H,10,11)
    • InChI Key: VKPQLZPZPYQFOK-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC=CC=1NC(C)=O)(=O)=O

Computed Properties

  • Exact Mass: 232.99144
  • Monoisotopic Mass: 232.9913420g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 309
  • 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: 1.4
  • Topological Polar Surface Area: 71.6?2

Experimental Properties

  • PSA: 63.24
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