Cas no 100866-99-7 (1-[4-(4-aminophenyl)sulfonylphenyl]ethanone)

1-[4-(4-aminophenyl)sulfonylphenyl]ethanone structure
100866-99-7 structure
Product Name:1-[4-(4-aminophenyl)sulfonylphenyl]ethanone
CAS No:100866-99-7
MF:C14H13NO3S
MW:275.322922468185
CID:1129839
PubChem ID:23275166
Update Time:2025-04-20

1-[4-(4-aminophenyl)sulfonylphenyl]ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-[4-(4-aminophenyl)sulfonylphenyl]ethanone
    • Ethanone, 1-[4-[(4-aminophenyl)sulfonyl]phenyl]-
    • 1-(4-Sulfanilyl-phenyl)-aethanon
    • 1-(4-sulfanilyl-phenyl)-ethanone
    • 4'-(4-aminophenylsulphonyl)acetophenone
    • CHEMBL143296
    • ACMC-1BRYA
    • CTK0G8594
    • 1-[4-[(4-Aminophenyl)sulfonyl]phenyl]ethanone
    • DTXSID00632340
    • 1-[4-(4-Aminobenzene-1-sulfonyl)phenyl]ethan-1-one
    • 100866-99-7
    • Inchi: 1S/C14H13NO3S/c1-10(16)11-2-6-13(7-3-11)19(17,18)14-8-4-12(15)5-9-14/h2-9H,15H2,1H3
    • InChI Key: HGWHPLHKHGKPKK-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)N)(C1C=CC(C(C)=O)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 275.06169
  • Monoisotopic Mass: 275.06161445g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 411
  • 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: 1.7
  • Topological Polar Surface Area: 85.6?2

Experimental Properties

  • PSA: 77.23
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