5-Bromo-2-thiophenesulfonamide

C₄H₄BrNO₂S₂CAS 53595-65-6242.10 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₄H₄BrNO₂S₂
Molar mass: 242.10 g/mol
Exact mass: 240.8867 Da
logP: 1.16Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

53595-65-6

SMILES

NS(=O)(=O)c1ccc(Br)s1

InChIKey

WXJQQLDICAOBJB-UHFFFAOYSA-N

InChI

InChI=1S/C4H4BrNO2S2/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-bromo-

Work with 5-Bromo-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-Chlorothiophene-2-sulfonamide53595-66-755 % similar 5-Bromothiophene-2-sulfonyl chloride55854-46-155 % similar 5-Bromo-N-tert-butyl-2-thiophenesulfonamide286932-39-646 % similar 2,5-Dibromothiophene3141-27-344 % similar 2-Thiophenesulfonamide6339-87-344 % similar 2-Aminothiazole-5-sulfonamide63735-95-541 % similar 4-Bromobenzenesulfonamide701-34-841 % similar 2-Bromobenzenesulfonamide92748-09-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook