4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide

C16H16N2O3S — CID 8822272

IUPAC4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3S/c19-16-7-4-12-18(16)14-8-10-15(11-9-14)22(20,21)17-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2
InChIKeyQWGXWZCCXWVJDF-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.61
Rot. Bonds4

About 4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide (PubChem CID 8822272) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
PubChem CID8822272
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3S/c19-16-7-4-12-18(16)14-8-10-15(11-9-14)22(20,21)17-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2
InChIKeyQWGXWZCCXWVJDF-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide (CID 8822272) is 4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide?
The InChIKey is QWGXWZCCXWVJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-16-7-4-12-18(16)14-8-10-15(11-9-14)22(20,21)17-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 8822272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).