chempirical

3-Acetyl-5-chloro-2-thiophenesulfonamide

C6H6ClNO3S2CAS 160982-10-5239.69 g/mol

Open in Covalent MOL file
OClSSNH2OO
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

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

1 names
  • 2-Thiophenesulfonamide, 3-acetyl-5-chloro-

Work with 3-Acetyl-5-chloro-2-thiophenesulfonamide

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

3-(2-Bromoacetyl)-5-chloro-2-thiophenesulfonamide160982-11-660 % similar 3-Acetyl-2,5-dichlorothiophene36157-40-155 % similar 2,5-Dichloro-3-thiophenesulfonamide53595-68-944 % similar 4-Acetylbenzenesulfonamide1565-17-940 % similar 5-Chloro-2-thiophenesulfonamide53595-66-739 % similar 2-Acetyl-5-chlorothiophene6310-09-439 % similar 2'-Chloro-4',5'-difluoroacetophenone121872-94-437 % similar 2′,4′-Dichloroacetophenone2234-16-437 % similar

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

Elsewhere

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