1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone

C₁₅H₁₅NO₃SCAS 221615-75-4289.35 g/mol

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Properties

Molecular formula: C₁₅H₁₅NO₃S
Molar mass: 289.35 g/mol
Exact mass: 289.0773 Da
logP: 2.22Crippen estimate
Polar surface area: 64.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Identifiers

CAS number

221615-75-4

SMILES

Cc1ccc(C(=O)Cc2ccc(S(C)(=O)=O)cc2)cn1

InChIKey

YBFHILNBYXCJKD-UHFFFAOYSA-N

InChI

InChI=1S/C15H15NO3S/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(8-5-12)20(2,18)19/h3-8,10H,9H2,1-2H3

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Names and synonyms

3 names

Ethanone, 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]-
1-(6-Methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]ethanone
2-(4-Mesylphenyl)-1-(6-methylpyridin-3-yl)-ethan-1-one

Work with 1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone

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

Same formula

Adrafinil63547-13-7

Elsewhere

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