4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C14H20N2O3S — CID 17154059

IUPAC4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-12-4-6-13(7-5-12)20(18,19)15-9-8-14(17)16-10-2-3-11-16/h4-7,15H,2-3,8-11H2,1H3
InChIKeyNZXPUOYUCFQYBH-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.29
Rot. Bonds5

About 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 17154059) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID17154059
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-12-4-6-13(7-5-12)20(18,19)15-9-8-14(17)16-10-2-3-11-16/h4-7,15H,2-3,8-11H2,1H3
InChIKeyNZXPUOYUCFQYBH-UHFFFAOYSA-N
XLogP1.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 17154059) is 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is NZXPUOYUCFQYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-12-4-6-13(7-5-12)20(18,19)15-9-8-14(17)16-10-2-3-11-16/h4-7,15H,2-3,8-11H2,1H3.
What are the key properties of 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 17154059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).