3,4-Difluorobenzenesulfonamide

C₆H₅F₂NO₂SCAS 108966-71-8193.17 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

Identifiers

CAS number

108966-71-8

SMILES

C1=CC(=C(C=C1S(=O)(=O)N)F)F

InChIKey

VFVVRYNJTGHAIE-UHFFFAOYSA-N

InChI

InChI=1S/C6H5F2NO2S/c7-5-2-1-4(3-6(5)8)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 3,4-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-Fluoro-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide1027345-08-958 % similar 4-Fluorobenzenesulfonamide402-46-055 % similar Sulfanilamide63-74-147 % similar 4-Amino-3-methylbenzenesulfonamide53297-70-446 % similar 3-Amino-4-methylbenzenesulfonamide6274-28-846 % similar 4-(Difluoromethoxy)benzenesulfonamide874781-09-646 % similar 2-Aminophenol-4-sulfonamide98-32-846 % similar 4-(Trifluoromethyl)benzenesulfonamide830-43-345 % similar

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

Same formula

2,5-Difluorobenzenesulfonamide120022-63-1 2-Difluoromethanesulfonylpyridine1219454-89-3 2,4-Difluorobenzenesulfonamide13656-60-5 3,5-Difluorobenzenesulfonamide140480-89-3

Elsewhere

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