N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide

C17H18N2O3S — CID 40911700

IUPACN-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=C1C[C@H](CNS(=O)(=O)c2ccccc2)CN1c1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-17-11-14(13-19(17)15-7-3-1-4-8-15)12-18-23(21,22)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2/t14-/m1/s1
InChIKeyIPGZTDJTSIEYDR-CQSZACIVSA-N
MW330.41 g/mol
LogP2.02
Rot. Bonds5

About N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide

N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide (PubChem CID 40911700) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
PubChem CID40911700
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=C1C[C@H](CNS(=O)(=O)c2ccccc2)CN1c1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-17-11-14(13-19(17)15-7-3-1-4-8-15)12-18-23(21,22)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2/t14-/m1/s1
InChIKeyIPGZTDJTSIEYDR-CQSZACIVSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911714
4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640271
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 131935929
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110413537
4-methoxy-3-methyl-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911748
2,4-difluoro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 16919575
2,5-dimethyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911833
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide
CID 16919583
4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912142
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919756

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide (CID 40911700) is N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide is O=C1C[C@H](CNS(=O)(=O)c2ccccc2)CN1c1ccccc1.
What is the InChIKey of N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is IPGZTDJTSIEYDR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-17-11-14(13-19(17)15-7-3-1-4-8-15)12-18-23(21,22)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2/t14-/m1/s1.
What are the key properties of N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide?
N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 40911700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).