chempirical

Etoricoxib

C18H15ClN2O2SCAS 202409-33-4358.84 g/mol

Open in Covalent MOL file
NClSOON
Aryl halideSulfone

Properties

Molecular formula
C18H15ClN2O2S
Molar mass
358.84 g/mol
Exact mass
358.0543 Da
logP
4.18Crippen estimate
Polar surface area
59.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
202409-33-4
SMILES
Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIKey
MNJVRJDLRVPLFE-UHFFFAOYSA-N
InChI
InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3

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Names and synonyms

15 names · show all
  • 2,3′-Bipyridine, 5-chloro-6′-methyl-3-[4-(methylsulfonyl)phenyl]-
  • 5-Chloro-6′-methyl-3-[4-(methylsulfonyl)phenyl]-2,3′-bipyridine
  • MK 663
  • MK 0663
  • Arcoxia
  • Torcoxia
  • Kingcox
  • Etocox
  • Etobrix
  • Etoxib
  • Etropain
  • Algix
  • Tauxib
  • Nucoxia
  • Etosaid

Work with Etoricoxib

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

1-Chloro-4-(methylsulfonyl)benzene98-57-747 % similar 1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone221615-75-442 % similar 5-Chloro-2-methylpyridine72093-07-341 % similar Methyl P-tolyl sulfone3185-99-735 % similar 2-Chloro-4-(methylsulfonyl)benzenamine13244-35-432 % similar 4-(Methylsulfonyl)phenol14763-60-131 % similar 4,4′-Bis[(4-chlorophenyl)sulfonyl]-1,1′-biphenyl22287-56-531 % similar 4-Bromophenyl methyl sulfone3466-32-831 % similar

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

Elsewhere

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