chempirical

Sulfinpyrazone

C23H20N2O3SCAS 57-96-5404.48 g/mol

Open in Covalent MOL file
OSOONN
AmideLactamSulfoxide

Properties

Molecular formula
C23H20N2O3S
Molar mass
404.48 g/mol
Exact mass
404.1195 Da
Melting point
136–137 °C
logP
3.80Crippen estimate
Polar surface area
57.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
57-96-5
SMILES
O=C1C(CCS(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1
InChIKey
MBGGBVCUIVRRBF-UHFFFAOYSA-N
InChI
InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2

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

Names and synonyms

17 names · show all
  • 3,5-Pyrazolidinedione, 1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]-
  • 1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione
  • G 28315
  • Anturan
  • Anturane
  • 1,2-Diphenyl-4-(2′-phenylsulfinethyl)-3,5-pyrazolidinedione
  • Diphenylpyrazone
  • 4-(Phenylsulfoxyethyl)-1,2-diphenyl-3,5-pyrazolidinedione
  • Sulfoxyphenylpyrazolidine
  • Sulphinpyrazone
  • Sulfinpyrazon
  • Anturanil
  • Anturen
  • Anturidin
  • Enturan
  • Enturen
  • NSC 75925

Work with Sulfinpyrazone

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

Phenylbutazone50-33-955 % similar Feprazone30748-29-948 % similar Oxazolidin129-20-447 % similar 5-Methyl-3-phenyl-2-thioxo-4-imidazolidinone4333-19-132 % similar 4,4′-Bis(1-phenyl-3-methyl-5-pyrazolone)7477-67-032 % similar Diphenamid957-51-732 % similar 1,3-Dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione7391-66-430 % similar

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

Elsewhere

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