4-Acetamidobenzenesulfonyl chloride

C₈H₈ClNO₃SCAS 121-60-8233.67 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈ClNO₃S
Molar mass: 233.67 g/mol
Exact mass: 232.9913 Da
Melting point: 149 °C
logP: 2.22Crippen estimate
Polar surface area: 66.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage47.8% of notifiers
H335 May cause respiratory irritation26.6% of notifiers
H400 Very toxic to aquatic life50.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects50.7% of notifiers

Aggregated from 207 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

121-60-8

SMILES

CC(O)=Nc1ccc(S(=O)(=O)Cl)cc1

InChIKey

GRDXCFKBQWDAJH-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

21 names · show all

Benzenesulfonyl chloride, 4-(acetylamino)-
Sulfanilyl chloride, N-acetyl-
4-(Acetylamino)benzenesulfonyl chloride
Acetanilide-p-sulfonyl chloride
p-(Acetylamino)benzenesulfonyl chloride
ASC
Dagenan chloride
4-Acetamidophenylsulfonyl chloride
N4-Acetylsulfanilyl chloride
p-Acetamidobenzenesulfonyl chloride
4′-(Chlorosulfonyl)acetanilide
p-Acetamidophenylsulfonyl chloride
4-Chlorosulfonylacetanilide
p-(Chlorosulfonyl)acetanilide
N-Acetylsulfanilyl chloride
4-(Acetylamino)phenylsulfonyl chloride
N-Acetyl-p-aminobenzenesulfonyl chloride
NSC 127860
4-Acetamidobenzene-1-sulfonyl chloride
N-(4-Chlorosulfonylphenyl)acetamide
p-Acetylaminophenylsulfonyl chloride

Reactions

p-ACETAMINOBENZENESULFONYL CHLORIDE (Sulfanilyl chloride, N-acetyl-)product

Work with 4-Acetamidobenzenesulfonyl chloride

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

Acetylsulfanilamide121-61-961 % similar N,N'-Diacetyl-p-phenylenediamine140-50-159 % similar 4-Acetamidobenzenesulfonyl azide2158-14-754 % similar N-(4-Chlorophenyl)acetamide539-03-753 % similar 4′-Bromoacetanilide103-88-850 % similar 4-Methylacetanilide103-89-950 % similar Acetaminophen103-90-250 % similar Dabsyl chloride56512-49-349 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook