4-Chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

C₁₅H₁₂ClF₃N₂O₃SCAS 188591-46-0392.78 g/mol

Open in Covalent MOL file

Alkyl halide Amide Aryl halide Sulfone

Properties

Molecular formula: C₁₅H₁₂ClF₃N₂O₃S
Molar mass: 392.78 g/mol
Exact mass: 392.0209 Da
logP: 2.96Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Identifiers

CAS number

188591-46-0

SMILES

C1=CC(=CC=C1C(=O)NCCS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)Cl

InChIKey

JFUIMTGOQCQTPF-UHFFFAOYSA-N

InChI

InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)

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Work with 4-Chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

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

5-(Trifluoromethyl)-2-pyridinesulfonyl chloride174485-72-443 % similar 4-Chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide41859-57-839 % similar Moclobemide71320-77-938 % similar p-(Trifluoromethyl)benzoylhydrazine339-59-336 % similar Parachlorobenzotrifluoride98-56-635 % similar Bezafibrate41859-67-034 % similar 2-Chloro-5-(trifluoromethyl)pyridine52334-81-334 % similar 4-Chlorobenzoic acid hydrazide536-40-333 % similar

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

Elsewhere

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