5-Chlorothiophene-2-sulfonamide

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

2 names

5-Chloro-2-thiophenesulfonamide
2-Thiophenesulfonamide, 5-chloro-

Work with 5-Chlorothiophene-2-sulfonamide

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 4,5-Dichlorothiophene-2-sulfonamide256353-34-147 % similar 2,5-Dichloro-3-thiophenesulfonamide53595-68-947 % similar 2,5-Dichlorothiophene173777-89-444 % similar 2,5-Dichlorothiophene3172-52-944 % similar 2-Thiophenesulfonamide6339-87-344 % similar 2-Aminothiazole-5-sulfonamide63735-95-541 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook