3-Fluorobenzenesulfonamide

C₆H₆FNO₂SCAS 1524-40-9175.18 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₆H₆FNO₂S
Molar mass: 175.18 g/mol
Exact mass: 175.0103 Da
logP: 0.47Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1524-40-9

SMILES

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

InChIKey

CRINBBOGNYCAOV-UHFFFAOYSA-N

InChI

InChI=1S/C6H6FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)

Weigh it out

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

Work with 3-Fluorobenzenesulfonamide

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

3,5-Difluorobenzenesulfonamide140480-89-367 % similar 3-Chlorobenzenesulfonamide17260-71-860 % similar 3-Aminobenzenesulfonamide98-18-060 % similar 3-Bromobenzene-1-sulfonamide89599-01-958 % similar 3-(Trifluoromethyl)benzene-1-sulfonamide672-58-258 % similar Benzenesulfonamide98-10-256 % similar 3,4-Difluorobenzenesulfonamide108966-71-855 % similar 3-Fluorobenzenesulfonyl chloride701-27-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fluoromethyl 2-pyridyl sulfone1365765-53-2 2-Fluorobenzenesulfonamide30058-40-3 4-Fluorobenzenesulfonamide402-46-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook