4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one

C13H15NO5S — CID 23991912

IUPAC4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one
SMILESCS(=O)(=O)C1=C(O)C(=O)N(CCO)C1c1ccccc1
InChIInChI=1S/C13H15NO5S/c1-20(18,19)12-10(9-5-3-2-4-6-9)14(7-8-15)13(17)11(12)16/h2-6,10,15-16H,7-8H2,1H3
InChIKeyFQRINFWPLZKPIU-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.38
Rot. Bonds4

About 4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one

4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one (PubChem CID 23991912) has the molecular formula C13H15NO5S and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one
PubChem CID23991912
Molecular FormulaC13H15NO5S
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one
SMILESCS(=O)(=O)C1=C(O)C(=O)N(CCO)C1c1ccccc1
InChIInChI=1S/C13H15NO5S/c1-20(18,19)12-10(9-5-3-2-4-6-9)14(7-8-15)13(17)11(12)16/h2-6,10,15-16H,7-8H2,1H3
InChIKeyFQRINFWPLZKPIU-UHFFFAOYSA-N
XLogP0.38
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one (CID 23991912) is 4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one is CS(=O)(=O)C1=C(O)C(=O)N(CCO)C1c1ccccc1.
What is the InChIKey of 4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one?
The InChIKey is FQRINFWPLZKPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S/c1-20(18,19)12-10(9-5-3-2-4-6-9)14(7-8-15)13(17)11(12)16/h2-6,10,15-16H,7-8H2,1H3.
What are the key properties of 4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one?
4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one has a molecular weight of 297.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxyethyl)-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 23991912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).