1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one

C19H19NO4S — CID 15836342

IUPAC1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)C(C(=O)c2ccccc2)N2CCCC2=O)cc1
InChIInChI=1S/C19H19NO4S/c1-14-9-11-16(12-10-14)25(23,24)19(20-13-5-8-17(20)21)18(22)15-6-3-2-4-7-15/h2-4,6-7,9-12,19H,5,8,13H2,1H3
InChIKeySPVBNLXYEINUMO-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.60
Rot. Bonds5

About 1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one

1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one (PubChem CID 15836342) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one
PubChem CID15836342
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)C(C(=O)c2ccccc2)N2CCCC2=O)cc1
InChIInChI=1S/C19H19NO4S/c1-14-9-11-16(12-10-14)25(23,24)19(20-13-5-8-17(20)21)18(22)15-6-3-2-4-7-15/h2-4,6-7,9-12,19H,5,8,13H2,1H3
InChIKeySPVBNLXYEINUMO-UHFFFAOYSA-N
XLogP2.60
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one (CID 15836342) is 1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one is Cc1ccc(S(=O)(=O)C(C(=O)c2ccccc2)N2CCCC2=O)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one?
The InChIKey is SPVBNLXYEINUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-14-9-11-16(12-10-14)25(23,24)19(20-13-5-8-17(20)21)18(22)15-6-3-2-4-7-15/h2-4,6-7,9-12,19H,5,8,13H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one?
1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one has a molecular weight of 357.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonyl-2-oxo-2-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 15836342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).