4-Fluorobenzenesulfonamide

C₆H₆FNO₂SCAS 402-46-0175.18 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
Melting point: 125–126 °C
logP: 0.47Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

402-46-0

SMILES

NS(=O)(=O)c1ccc(F)cc1

InChIKey

LFLSATHZMYYIAQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzenesulfonamide, 4-fluoro-
Benzenesulfonamide, p-fluoro-
p-Fluorobenzenesulfonamide

Work with 4-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

Sulfanilamide63-74-158 % similar 4,4′-Difluorodiphenyl sulfone383-29-956 % similar Benzenesulfonamide98-10-256 % similar 4-Hydroxybenzenesulfonamide1576-43-856 % similar P-Toluenesulfonamide70-55-356 % similar 4-Bromobenzenesulfonamide701-34-856 % similar 4-Chlorobenzenesulfonamide98-64-656 % similar 3,4-Difluorobenzenesulfonamide108966-71-855 % similar

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

Same formula

Fluoromethyl 2-pyridyl sulfone1365765-53-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook