2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide

C19H21ClN2O3S — CID 71805910

IUPAC2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCCC1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O3S/c20-16-10-8-15(9-11-16)13-21-19(23)22-12-4-5-17(22)14-26(24,25)18-6-2-1-3-7-18/h1-3,6-11,17H,4-5,12-14H2,(H,21,23)
InChIKeyQNBJSIZGEXBFRR-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.49
Rot. Bonds5

About 2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide

2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71805910) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID71805910
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCCC1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O3S/c20-16-10-8-15(9-11-16)13-21-19(23)22-12-4-5-17(22)14-26(24,25)18-6-2-1-3-7-18/h1-3,6-11,17H,4-5,12-14H2,(H,21,23)
InChIKeyQNBJSIZGEXBFRR-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide 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-(4-chlorobenzyl)-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726749
N-(2,4-dichlorobenzyl)-4-(4-fluorophenylsulfonyl)piperidine-1-carboxamide
CID 46225085
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
CID 4786870
4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 9207918
2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2987579
N-[(4-chlorophenyl)methyl]-3-(4-methylbenzenesulfonyl)propanamide
CID 2101588
1-(4-Chlorobenzyl)-3-(2-(4-methylpiperazin-1-yl)-2-(thiophen-3-yl)ethyl)urea
CID 44025385
1-(4-Chlorobenzyl)-3-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)urea
CID 45504469
N-(4-chlorobenzyl)-4-(thiophen-2-yl)piperidine-1-carboxamide
CID 71786940
N-(4-chlorobenzyl)-4-(thiophen-3-yl)piperidine-1-carboxamide
CID 71787050
N-(4-chlorobenzyl)-4-(methylsulfonyl)piperidine-1-carboxamide
CID 71805739
N-(4-chlorobenzyl)-4-(phenylsulfonyl)piperidine-1-carboxamide
CID 71808770

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide (CID 71805910) is 2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CCCC1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is QNBJSIZGEXBFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-16-10-8-15(9-11-16)13-21-19(23)22-12-4-5-17(22)14-26(24,25)18-6-2-1-3-7-18/h1-3,6-11,17H,4-5,12-14H2,(H,21,23).
What are the key properties of 2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide?
2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-N-[(4-chlorophenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71805910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).