3-(2-Bromoacetyl)-5-chloro-2-thiophenesulfonamide

C₆H₅BrClNO₃S₂CAS 160982-11-6318.58 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone Sulfonamide

Properties

Molecular formula: C₆H₅BrClNO₃S₂
Molar mass: 318.58 g/mol
Exact mass: 316.8583 Da
logP: 1.63Crippen estimate
Polar surface area: 77.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

160982-11-6

SMILES

NS(=O)(=O)c1sc(Cl)cc1C(=O)CBr

InChIKey

OZESFFKYLOCAOV-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrClNO3S2/c7-2-4(10)3-1-5(8)13-6(3)14(9,11)12/h1H,2H2,(H2,9,11,12)

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

Names and synonyms

3 names

2-Thiophenesulfonamide, 3-(2-bromoacetyl)-5-chloro-
2-Thiophenesulfonamide, 3-(bromoacetyl)-5-chloro-
3-(Bromoacetyl)-5-chloro-2-thiophenesulfonamide

Work with 3-(2-Bromoacetyl)-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-Acetyl-5-chloro-2-thiophenesulfonamide160982-10-560 % similar 2,4-Dichlorophenacyl bromide2631-72-341 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-841 % similar 2,5-Dichloro-3-thiophenesulfonamide53595-68-941 % similar 2-Bromo-1-(2,5-dichlorophenyl)ethanone4571-25-938 % similar 5-Chloro-2-thiophenesulfonamide53595-66-736 % similar 1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanone37148-47-336 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-234 % similar

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

Elsewhere

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