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

C6H5BrClNO3S2CAS 160982-11-6318.58 g/mol

Open in Covalent MOL file
H2NSOOSClOBr
Alkyl halideAryl halideKetoneSulfonamide

Properties

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

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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)

Weigh it out

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-2-(aminosulfonyl)-5-chlorothiophene160982-10-560 % similar 2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone57731-17-643 % similar 2-Bromo-2',4'-dichloroacetophenone170894-53-841 % 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-Chlorothiophene-2-sulfonamide53595-66-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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