4-Bromomethyl-benzenesulfonamide

C₇H₈BrNO₂SCAS 40724-47-8250.11 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonamide

Properties

Molecular formula: C₇H₈BrNO₂S
Molar mass: 250.11 g/mol
Exact mass: 248.9459 Da
logP: 1.23Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

40724-47-8

SMILES

C1=CC(=CC=C1CBr)S(=O)(=O)N

InChIKey

QNJHTLTUBNXLFS-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BrNO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2,(H2,9,10,11)

Weigh it out

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

Names and synonyms

1 names

4-Bromomethylbenzenesulfonamide

Work with 4-Bromomethyl-benzenesulfonamide

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-Ethylbenzenesulfonamide138-38-560 % similar 4-(2-Aminoethyl)benzenesulfonamide35303-76-560 % similar p-(Aminomethyl)benzenesulfonamide hydrochloride138-37-456 % similar 4-Bromobenzenesulfonamide701-34-855 % similar 4-(Methylsulfonyl)benzyl Bromide53606-06-755 % similar 4-N-Butylbenzenesulfonamide1135-00-855 % similar Sulfanilamide63-74-152 % similar 4-Hydroxybenzenesulfonamide1576-43-850 % similar

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

Same formula

Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate22900-83-0

Elsewhere

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