4-Bromo-2-fluorobenzenesulphonamide

C₆H₅BrFNO₂SCAS 214210-30-7254.07 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₆H₅BrFNO₂S
Molar mass: 254.07 g/mol
Exact mass: 252.9208 Da
logP: 1.24Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

214210-30-7

SMILES

C1=CC(=C(C=C1Br)F)S(=O)(=O)N

InChIKey

ZCPVDHZKGQQHDS-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrFNO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)

Weigh it out

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

Names and synonyms

1 names

4-Bromo-2-fluorobenzenesulfonamide

Work with 4-Bromo-2-fluorobenzenesulphonamide

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-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-465 % similar 2,4-Difluorobenzenesulfonamide13656-60-564 % similar 4-Bromo-2,5-difluorobenzenesulfonamide214209-98-057 % similar 2-Fluorobenzenesulfonamide30058-40-355 % similar 2,5-Difluorobenzenesulfonamide120022-63-150 % similar 4-Bromobenzenesulfonamide701-34-848 % similar 1-Bromo-3,4-difluorobenzene348-61-848 % similar 3-Bromobenzene-1-sulfonamide89599-01-947 % similar

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

Same formula

4-Bromo-3-fluorobenzene-1-sulfonamide263349-73-1 2-Bromo-4-fluorobenzenesulfonamide351003-60-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook