4-Bromobenzenesulfonamide

C₆H₆BrNO₂SCAS 701-34-8236.08 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₆H₆BrNO₂S
Molar mass: 236.08 g/mol
Exact mass: 234.9303 Da
Melting point: 166.5 °C
logP: 1.10Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

701-34-8

SMILES

NS(=O)(=O)c1ccc(Br)cc1

InChIKey

STYQHICBPYRHQK-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

Weigh it out

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

Names and synonyms

6 names

Benzenesulfonamide, 4-bromo-
Benzenesulfonamide, p-bromo-
p-Bromobenzenesulfonamide
(4-Bromophenyl)sulfonamide
4-Aminosulfonyl-1-bromobenzene
NSC 31049

Work with 4-Bromobenzenesulfonamide

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

4-Hydroxybenzenesulfonamide1576-43-862 % similar Sulfanilamide63-74-158 % similar Benzenesulfonamide98-10-256 % similar 4-Fluorobenzenesulfonamide402-46-056 % similar P-Toluenesulfonamide70-55-356 % similar 4-Chlorobenzenesulfonamide98-64-656 % similar 4-Hydrazinobenzenesulfonamide4392-54-554 % similar 4-Methoxybenzenesulfonamide1129-26-650 % similar

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

Same formula

Ethyl 2-bromothiazole-4-carboxylate100367-77-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook