2,5-Difluorobenzenesulfonamide

C6H5F2NO2SCAS 120022-63-1193.17 g/mol

Open in Covalent MOL file
FSOONH2F
Aryl halideSulfonamide

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
120022-63-1
SMILES
C1=CC(=C(C=C1F)S(=O)(=O)N)F
InChIKey
OLMFEUWXDKZGOO-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F2NO2S/c7-4-1-2-5(8)6(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 2,5-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

2-Bromo-4-fluorobenzenesulfonamide351003-60-659 % similar 4-Fluoro-2-methylbenzenesulfonamide489-17-859 % similar 2-Fluorobenzenesulfonamide30058-40-358 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-558 % similar 4-Fluorobenzenesulfonamide402-46-052 % similar 3-Fluorobenzenesulfonamide1524-40-952 % similar 4-Bromo-2,5-difluorobenzenesulfonamide214209-98-051 % similar 4-Bromo-2-fluorobenzenesulphonamide214210-30-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Difluorobenzenesulfonamide108966-71-8 2-Difluoromethanesulfonylpyridine1219454-89-3 2,4-Difluorobenzenesulfonamide13656-60-5 3,5-Difluorobenzenesulfonamide140480-89-3 2,6-Difluorobenzenesulfonamide60230-37-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook