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

C₁₄H₁₀F₃NO₄SCAS 1195768-19-4345.29 g/mol

Open in Covalent MOL file

Aryl halide Ester Sulfonamide

Properties

Molecular formula: C₁₄H₁₀F₃NO₄S
Molar mass: 345.29 g/mol
Exact mass: 345.0283 Da
logP: 2.69Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

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 N-methylanthranilate85-91-643 % similar Dimethyl phthalate131-11-341 % similar Methyl 2-amino-4-chloro-5-fluorobenzoate104901-79-339 % similar Methyl 2-chlorobenzoate610-96-839 % similar Dabrafenib1195765-45-739 % similar Methyl o-(chlorosulfonyl)benzoate26638-43-738 % similar Methyl 2-(aminosulfonyl)benzoate57683-71-338 % similar Methyl 2-bromobenzoate610-94-637 % similar

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

Elsewhere

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