2,4-Difluorobenzenesulfonamide

C₆H₅F₂NO₂SCAS 13656-60-5193.17 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₆H₅F₂NO₂S
Molar mass: 193.17 g/mol
Exact mass: 193.0009 Da
logP: 0.61Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

13656-60-5

SMILES

C1=CC(=C(C=C1F)F)S(=O)(=O)N

InChIKey

PTHLPYKPCQLAOF-UHFFFAOYSA-N

InChI

InChI=1S/C6H5F2NO2S/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.

Work with 2,4-Difluorobenzenesulfonamide

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-fluorobenzenesulphonamide214210-30-764 % similar 2-Bromo-4-fluorobenzenesulfonamide351003-60-664 % similar 4-Fluoro-2-methylbenzenesulfonamide489-17-864 % similar 2,4-Difluorobenzenesulfonyl chloride13918-92-863 % similar 2-Fluorobenzenesulfonamide30058-40-358 % similar 4-Fluorobenzenesulfonamide402-46-052 % similar 3-Fluorobenzenesulfonamide1524-40-952 % similar 4-Bromo-2,5-difluorobenzenesulfonamide214209-98-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Difluorobenzenesulfonamide108966-71-8 2,5-Difluorobenzenesulfonamide120022-63-1 2-Difluoromethanesulfonylpyridine1219454-89-3 3,5-Difluorobenzenesulfonamide140480-89-3 2,6-Difluorobenzenesulfonamide60230-37-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook