5-Chloro-2-thiophenesulfonamide

C₄H₄ClNO₂S₂CAS 53595-66-7197.65 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₄H₄ClNO₂S₂
Molar mass: 197.65 g/mol
Exact mass: 196.9372 Da
Melting point: 113.5 °C
logP: 1.05Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

53595-66-7

SMILES

NS(=O)(=O)c1ccc(Cl)s1

InChIKey

RKLQLYBJAZBSEU-UHFFFAOYSA-N

InChI

InChI=1S/C4H4ClNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)

Weigh it out

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

Names and synonyms

1 names

2-Thiophenesulfonamide, 5-chloro-

Work with 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

5-Chloro-2-thiophenesulfonyl chloride2766-74-757 % similar 5-Bromo-2-thiophenesulfonamide53595-65-655 % similar 2,5-Dichloro-3-thiophenesulfonamide53595-68-947 % similar 2,5-Dichlorothiophene3172-52-944 % similar 2-Thiophenesulfonamide6339-87-344 % similar 4-Chlorobenzenesulfonamide98-64-641 % similar 3-Acetyl-5-chloro-2-thiophenesulfonamide160982-10-539 % similar 2-Chlorobenzenesulfonamide6961-82-638 % similar

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

Elsewhere

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