3-Acetyl-2-(aminosulfonyl)-5-chlorothiophene

C6H6ClNO3S2CAS 160982-10-5239.69 g/mol

OClSSH2NOO
Aryl halideKetoneSulfonamide

Properties

Molecular formula
C6H6ClNO3S2
Molar mass
239.69 g/mol
Exact mass
238.9478 Da
logP
1.25Crippen estimate
Polar surface area
77.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
160982-10-5
SMILES
CC(=O)c1cc(Cl)sc1S(N)(=O)=O
InChIKey
ODLFFSHLXVZFPY-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClNO3S2/c1-3(9)4-2-5(7)12-6(4)13(8,10)11/h2H,1H3,(H2,8,10,11)

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Names and synonyms

2 names
  • 3-Acetyl-5-chloro-2-thiophenesulfonamide
  • 2-Thiophenesulfonamide, 3-acetyl-5-chloro-

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Similar compounds

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

Same formula

Elsewhere