3-Bromobenzene-1-sulfonamide

C₆H₆BrNO₂SCAS 89599-01-9236.08 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
logP: 1.10Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

89599-01-9

SMILES

C1=CC(=CC(=C1)Br)S(=O)(=O)N

InChIKey

MUBJNMWVQGHHLG-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

3-Bromobenzenesulfonamide

Work with 3-Bromobenzene-1-sulfonamide

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-Aminobenzenesulfonamide98-18-063 % similar 3-Fluorobenzenesulfonamide1524-40-958 % similar 3-Chlorobenzenesulfonamide17260-71-858 % similar 3-Bromobenzenesulfonyl chloride2905-24-056 % similar 3-Bromophenylmethylsulfone34896-80-556 % similar Benzenesulfonamide98-10-254 % similar 3-(Trifluoromethyl)benzene-1-sulfonamide672-58-251 % similar 3-Nitrobenzenesulfonamide121-52-849 % similar

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

Same formula

Ethyl 2-bromothiazole-4-carboxylate100367-77-9 Ethyl 2-bromothiazole-5-carboxylate41731-83-3 Ethyl 5-bromo-1,3-thiazole-4-carboxylate61830-23-7 4-Bromobenzenesulfonamide701-34-8

Elsewhere

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