5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

C17H16ClNO3S — CID 78141035

IUPAC5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO3S/c1-12-2-8-15(9-3-12)23(21,22)19-16(10-11-17(19)20)13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyOWUMWANFUBEZOC-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.70
Rot. Bonds3

About 5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (PubChem CID 78141035) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
PubChem CID78141035
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO3S/c1-12-2-8-15(9-3-12)23(21,22)19-16(10-11-17(19)20)13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyOWUMWANFUBEZOC-UHFFFAOYSA-N
XLogP3.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141036
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-4-one
CID 11689079
5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 135051669
2-(4-chlorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 122375223
[amino-(4-chlorophenyl)methylidene]-[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]oxyazanium
CID 2209564
(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 12598044
1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
CID 4767736
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 27260603
3,5-bis(4-chlorophenyl)-4-cyclohexyl-2-(4-methylphenyl)sulfonyl-3H-1,2,4-triazole
CID 135063237
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 16656355
(2R)-N-methyl-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 93059318

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of 5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (CID 78141035) is 5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)CCC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The InChIKey is OWUMWANFUBEZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c1-12-2-8-15(9-3-12)23(21,22)19-16(10-11-17(19)20)13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one has a molecular weight of 349.84 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 78141035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).