2-Bromo-4-(trifluoromethyl)benzenesulfonamide

C₇H₅BrF₃NO₂SCAS 351003-63-9304.08 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Sulfonamide

Properties

Molecular formula: C₇H₅BrF₃NO₂S
Molar mass: 304.08 g/mol
Exact mass: 302.9176 Da
logP: 2.12Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

351003-63-9

SMILES

NS(=O)(=O)c1ccc(C(F)(F)F)cc1Br

InChIKey

IJUIBMWZUXWVLI-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF3NO2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H,(H2,12,13,14)

Weigh it out

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

Names and synonyms

2 names

Benzenesulfonamide, 2-bromo-4-(trifluoromethyl)-
2-Bromo-4-trifluoromethylbenzenesulfonamide

Work with 2-Bromo-4-(trifluoromethyl)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

2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride54403-98-463 % similar 2-Bromo-4-fluorobenzenesulfonamide351003-60-659 % similar 4-(Trifluoromethyl)benzenesulfonamide830-43-353 % similar 2-Bromobenzenesulfonamide92748-09-951 % similar 2-Bromo-4-trifluoromethylaniline57946-63-151 % similar 2-Bromo-4-(trifluoromethyl)phenol81107-97-351 % similar 3-(Trifluoromethyl)benzene-1-sulfonamide672-58-251 % similar 2-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride176225-08-451 % similar

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

Same formula

4-Bromo-3-(trifluoromethyl)benzenesulfonamide351003-64-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook