chempirical

4-Acetylbenzenesulfonamide

C8H9NO3SCAS 1565-17-9199.22 g/mol

Open in Covalent MOL file
OSNH2OO
KetoneSulfonamide

Properties

Molecular formula
C8H9NO3S
Molar mass
199.22 g/mol
Exact mass
199.0303 Da
Melting point
178–179 °C
logP
0.54Crippen estimate
Polar surface area
77.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
1565-17-9
SMILES
CC(=O)c1ccc(S(N)(=O)=O)cc1
InChIKey
CSATVXJBGFVJES-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzenesulfonamide, 4-acetyl-
  • Benzenesulfonamide, p-acetyl-
  • p-Acetobenzenesulfonamide
  • p-Acetylbenzenesulfonamide
  • 4-(Aminosulfonyl)acetophenone

Work with 4-Acetylbenzenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-[4-(Methylsulfonyl)phenyl]ethanone10297-73-159 % similar 1,4-Diacetylbenzene1009-61-658 % similar 4-Carboxybenzenesulfonamide138-41-058 % similar 4-Acetylbenzenesulfonyl chloride1788-10-958 % similar P-Toluenesulfonamide70-55-352 % similar P-Aminoacetophenone99-92-352 % similar Acetylsulfanilamide121-61-949 % similar 4-Acetylpyridine1122-54-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-[(4-Nitrophenyl)thio]ethanol13287-76-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook