1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide

C17H17ClN2O3S — CID 53166761

IUPAC1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide
SMILESO=C1C(NS(=O)(=O)Cc2ccc(Cl)cc2)CCN1c1ccccc1
InChIInChI=1S/C17H17ClN2O3S/c18-14-8-6-13(7-9-14)12-24(22,23)19-16-10-11-20(17(16)21)15-4-2-1-3-5-15/h1-9,16,19H,10-12H2
InChIKeyFYWDQHKSNAYIBR-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.56
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide

1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 53166761) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide
PubChem CID53166761
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide
SMILESO=C1C(NS(=O)(=O)Cc2ccc(Cl)cc2)CCN1c1ccccc1
InChIInChI=1S/C17H17ClN2O3S/c18-14-8-6-13(7-9-14)12-24(22,23)19-16-10-11-20(17(16)21)15-4-2-1-3-5-15/h1-9,16,19H,10-12H2
InChIKeyFYWDQHKSNAYIBR-UHFFFAOYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide (CID 53166761) is 1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide is O=C1C(NS(=O)(=O)Cc2ccc(Cl)cc2)CCN1c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is FYWDQHKSNAYIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-14-8-6-13(7-9-14)12-24(22,23)19-16-10-11-20(17(16)21)15-4-2-1-3-5-15/h1-9,16,19H,10-12H2.
What are the key properties of 1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide?
1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 53166761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).