2,5-Dichloro-3-thiophenesulfonamide

C₄H₃Cl₂NO₂S₂CAS 53595-68-9232.09 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₄H₃Cl₂NO₂S₂
Molar mass: 232.09 g/mol
Exact mass: 230.8982 Da
logP: 1.70Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53595-68-9

SMILES

NS(=O)(=O)c1cc(Cl)sc1Cl

InChIKey

BUQKISCVZMIFEF-UHFFFAOYSA-N

InChI

InChI=1S/C4H3Cl2NO2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H,(H2,7,8,9)

Weigh it out

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

Names and synonyms

1 names

3-Thiophenesulfonamide, 2,5-dichloro-

Work with 2,5-Dichloro-3-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

2,5-Dichlorothiophene-3-sulfonyl chloride56946-83-959 % similar 5-Chlorothiophene-2-sulfonamide53595-66-747 % similar 2-Chlorobenzenesulfonamide6961-82-644 % similar 3-Acetyl-2-(aminosulfonyl)-5-chlorothiophene160982-10-544 % similar 3-(2-Bromoacetyl)-5-chloro-2-thiophenesulfonamide160982-11-641 % similar 4-Amino-6-chloro-1,3-benzenedisulfonamide121-30-241 % similar Dichlorphenamide120-97-839 % similar 4-Chloro-2,5-dimethylbenzenesulfonamide219689-73-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Dichlorothiophene-2-sulfonamide256353-34-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook