Methyl 3-[[(2,6-difluorophenyl)sulfonyl]amino]-2-fluorobenzoate

C14H10F3NO4SCAS 1195768-19-4345.29 g/mol

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OONHSOOFFF
Aryl halideEsterSulfonamide

Properties

Molecular formula
C14H10F3NO4S
Molar mass
345.29 g/mol
Exact mass
345.0283 Da
logP
2.69Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1195768-19-4
SMILES
COC(=O)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
InChIKey
COSCWKICERLCEK-UHFFFAOYSA-N
InChI
InChI=1S/C14H10F3NO4S/c1-22-14(19)8-4-2-7-11(12(8)17)18-23(20,21)13-9(15)5-3-6-10(13)16/h2-7,18H,1H3

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Names and synonyms

1 names
  • Benzoic acid, 3-[[(2,6-difluorophenyl)sulfonyl]amino]-2-fluoro-, methyl ester

Work with Methyl 3-[[(2,6-difluorophenyl)sulfonyl]amino]-2-fluorobenzoate

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

Methyl 2-fluorobenzoate394-35-451 % similar Methyl 3-amino-2-fluorobenzoate1195768-18-350 % similar Methyl 3-bromo-2-fluorobenzoate206551-41-950 % similar Methyl 2-fluoro-3-methylbenzoate586374-04-150 % similar Methyl 2,6-difluorobenzoate13671-00-646 % similar 2-Fluoro-3-nitrobenzoic acid methyl ester946126-94-944 % similar Methyl 2,3,4,5-tetrafluorobenzoate5292-42-243 % similar Methyl N-methylanthranilate85-91-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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