5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one

C23H20N2O3S2 — CID 54337201

IUPAC5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one
SMILESO=c1c(CCS(=O)(=S)c2ccccc2)c(O)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H20N2O3S2/c26-22-21(16-17-30(28,29)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/h1-15,26H,16-17H2
InChIKeyTWHWJNUVEPYGRX-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.68
Rot. Bonds6

About 5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one

5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one (PubChem CID 54337201) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one.

Molecular Properties

Compound Name5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one
PubChem CID54337201
Molecular FormulaC23H20N2O3S2
Molecular Weight436.56 g/mol
Exact Mass436.09
IUPAC Name5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one
SMILESO=c1c(CCS(=O)(=S)c2ccccc2)c(O)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H20N2O3S2/c26-22-21(16-17-30(28,29)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/h1-15,26H,16-17H2
InChIKeyTWHWJNUVEPYGRX-UHFFFAOYSA-N
XLogP3.68
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one?
The IUPAC name of 5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one (CID 54337201) is 5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one.
What is the SMILES notation for 5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one?
The canonical SMILES for 5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one is O=c1c(CCS(=O)(=S)c2ccccc2)c(O)n(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one?
The InChIKey is TWHWJNUVEPYGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c26-22-21(16-17-30(28,29)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/h1-15,26H,16-17H2.
What are the key properties of 5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one?
5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one has a molecular weight of 436.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one is sourced from PubChem (CID 54337201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).