3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one

C18H16ClNO4S — CID 15994572

IUPAC3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one
SMILESCC(=O)C1C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C18H16ClNO4S/c1-12(21)17-16(13-5-3-2-4-6-13)11-20(18(17)22)25(23,24)15-9-7-14(19)8-10-15/h2-10,16-17H,11H2,1H3
InChIKeyOFHSFRHZKINEAB-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.86
Rot. Bonds4

About 3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one

3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one (PubChem CID 15994572) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is 3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one
PubChem CID15994572
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one
SMILESCC(=O)C1C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C18H16ClNO4S/c1-12(21)17-16(13-5-3-2-4-6-13)11-20(18(17)22)25(23,24)15-9-7-14(19)8-10-15/h2-10,16-17H,11H2,1H3
InChIKeyOFHSFRHZKINEAB-UHFFFAOYSA-N
XLogP2.86
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one?
The IUPAC name of 3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one (CID 15994572) is 3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for 3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one is CC(=O)C1C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)CC1c1ccccc1.
What is the InChIKey of 3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one?
The InChIKey is OFHSFRHZKINEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c1-12(21)17-16(13-5-3-2-4-6-13)11-20(18(17)22)25(23,24)15-9-7-14(19)8-10-15/h2-10,16-17H,11H2,1H3.
What are the key properties of 3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one?
3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one has a molecular weight of 377.85 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 15994572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).