N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C17H18N2O3S — CID 614339

IUPACN-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H18N2O3S/c1-13-5-2-3-6-16(13)18-23(21,22)15-10-8-14(9-11-15)19-12-4-7-17(19)20/h2-3,5-6,8-11,18H,4,7,12H2,1H3
InChIKeyQOKLWPUCDVDBCQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.92
Rot. Bonds4

About N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 614339) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID614339
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H18N2O3S/c1-13-5-2-3-6-16(13)18-23(21,22)15-10-8-14(9-11-15)19-12-4-7-17(19)20/h2-3,5-6,8-11,18H,4,7,12H2,1H3
InChIKeyQOKLWPUCDVDBCQ-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 614339) is N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is QOKLWPUCDVDBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13-5-2-3-6-16(13)18-23(21,22)15-10-8-14(9-11-15)19-12-4-7-17(19)20/h2-3,5-6,8-11,18H,4,7,12H2,1H3.
What are the key properties of N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 614339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).