N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C17H18N2O3S — CID 2971985

IUPACN-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-4-2-3-5-16(12)19-23(21,22)15-8-6-13(7-9-15)14-10-17(20)18-11-14/h2-9,14,19H,10-11H2,1H3,(H,18,20)
InChIKeyAOENGEMKZXGRPE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.40
Rot. Bonds4

About N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide

N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 2971985) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID2971985
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-4-2-3-5-16(12)19-23(21,22)15-8-6-13(7-9-15)14-10-17(20)18-11-14/h2-9,14,19H,10-11H2,1H3,(H,18,20)
InChIKeyAOENGEMKZXGRPE-UHFFFAOYSA-N
XLogP2.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 2971985) is N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is AOENGEMKZXGRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-4-2-3-5-16(12)19-23(21,22)15-8-6-13(7-9-15)14-10-17(20)18-11-14/h2-9,14,19H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 2971985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).