2-Fluorobenzenesulfonamide

C₆H₆FNO₂SCAS 30058-40-3175.18 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 swallowed95.2% of notifiers
H311 Toxic in contact with skin95.2% of notifiers
H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H331 Toxic if inhaled95.2% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 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

30058-40-3

SMILES

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

InChIKey

WFLBWYLZCQOPCA-UHFFFAOYSA-N

InChI

InChI=1S/C6H6FNO2S/c7-5-3-1-2-4-6(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 2-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

2,6-Difluorobenzenesulfonamide60230-37-761 % similar 2-Fluorobenzenesulfonyl chloride2905-21-759 % similar 2,5-Difluorobenzenesulfonamide120022-63-158 % similar 2,4-Difluorobenzenesulfonamide13656-60-558 % similar 2-Aminobenzenesulfonamide3306-62-555 % similar 4-Bromo-2-fluorobenzenesulphonamide214210-30-755 % similar 2-Chlorobenzenesulfonamide6961-82-653 % similar 2-Methylbenzenesulfonamide88-19-753 % similar

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

Same formula

Fluoromethyl 2-pyridyl sulfone1365765-53-2 3-Fluorobenzenesulfonamide1524-40-9 4-Fluorobenzenesulfonamide402-46-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook