2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one

C11H11NO4S — CID 46871781

IUPAC2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C=CC2O)cc1
InChIInChI=1S/C11H11NO4S/c1-8-2-4-9(5-3-8)17(15,16)12-10(13)6-7-11(12)14/h2-7,10,13H,1H3
InChIKeyLASNBXWNXQRYSO-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.40
Rot. Bonds2

About 2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one

2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one (PubChem CID 46871781) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
PubChem CID46871781
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C=CC2O)cc1
InChIInChI=1S/C11H11NO4S/c1-8-2-4-9(5-3-8)17(15,16)12-10(13)6-7-11(12)14/h2-7,10,13H,1H3
InChIKeyLASNBXWNXQRYSO-UHFFFAOYSA-N
XLogP0.40
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one (CID 46871781) is 2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one is Cc1ccc(S(=O)(=O)N2C(=O)C=CC2O)cc1.
What is the InChIKey of 2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one?
The InChIKey is LASNBXWNXQRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-8-2-4-9(5-3-8)17(15,16)12-10(13)6-7-11(12)14/h2-7,10,13H,1H3.
What are the key properties of 2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one?
2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one has a molecular weight of 253.28 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one is sourced from PubChem (CID 46871781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).