4-Acetylbenzenesulphonamide

C₈H₉NO₃SCAS 1565-17-9199.22 g/mol

Open in Covalent MOL file

Ketone Sulfonamide

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

Names and synonyms

6 names

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

Work with 4-Acetylbenzenesulphonamide

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 1-[4-(Benzenesulfonyl)phenyl]ethan-1-one65085-83-856 % similar 4,4'-Diacetylbiphenyl787-69-952 % similar P-Toluenesulfonamide70-55-352 % similar P-Aminoacetophenone99-92-352 % similar

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

Same formula

2-[(4-Nitrophenyl)thio]ethanol13287-76-8 2-(Benzenesulfonyl)acetamide35008-50-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook