chempirical

Parecoxib

C19H18N2O4SCAS 198470-84-7370.42 g/mol

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ONHSOONO

Properties

Molecular formula
C19H18N2O4S
Molar mass
370.42 g/mol
Exact mass
370.0987 Da
logP
4.37Crippen estimate
Polar surface area
92.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Identifiers

CAS number
198470-84-7
SMILES
CCC(O)=NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1
InChIKey
TZRHLKRLEZJVIJ-UHFFFAOYSA-N
InChI
InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Propanamide, N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-
  • N-[[4-(5-Methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]propanamide
  • SC 69124
  • Vorth-P
  • Valus-P
  • Xapit

Work with Parecoxib

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

Parecoxib sodium198470-85-858 % similar Valdecoxib181695-72-757 % similar 5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-442 % similar 2-Bromo-1-(5-methyl-3-phenylisoxazol-4-yl)ethan-1-one104777-39-138 % similar 5-Methyl-3-phenylisoxazole-4-carbonyl chloride16883-16-237 % similar Ethyl N-[(4-methylphenyl)sulfonyl]carbamate5577-13-934 % similar Sulfabenzamide127-71-933 % similar 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid3919-76-433 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook