4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide

C18H19ClN2O3S — CID 16919756

IUPAC4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(N2CC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2=O)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-13-2-6-16(7-3-13)21-12-14(10-18(21)22)11-20-25(23,24)17-8-4-15(19)5-9-17/h2-9,14,20H,10-12H2,1H3
InChIKeyDMRUJOIUNOQTRZ-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.98
Rot. Bonds5

About 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide

4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide (PubChem CID 16919756) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
PubChem CID16919756
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(N2CC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2=O)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-13-2-6-16(7-3-13)21-12-14(10-18(21)22)11-20-25(23,24)17-8-4-15(19)5-9-17/h2-9,14,20H,10-12H2,1H3
InChIKeyDMRUJOIUNOQTRZ-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-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

N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919718
4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912142
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 16919719
4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919759
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 40912290
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40912286
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 40912395
N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911700
(4S)-4-[(dimethylsulfamoylamino)methyl]-1-(4-methylphenyl)-2-oxopyrrolidine
CID 40912296
4-ethyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640271

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide (CID 16919756) is 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide is Cc1ccc(N2CC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2=O)cc1.
What is the InChIKey of 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is DMRUJOIUNOQTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-2-6-16(7-3-13)21-12-14(10-18(21)22)11-20-25(23,24)17-8-4-15(19)5-9-17/h2-9,14,20H,10-12H2,1H3.
What are the key properties of 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 378.88 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16919756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).