2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide

C17H18Cl2N2O2S — CID 110640667

IUPAC2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(c2ccc(Cl)cc2)C1)c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O2S/c18-14-5-7-15(8-6-14)21-10-9-13(12-21)11-20-24(22,23)17-4-2-1-3-16(17)19/h1-8,13,20H,9-12H2
InChIKeyXBMQYZDBIKPHKH-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.80
Rot. Bonds5

About 2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide

2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide (PubChem CID 110640667) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
PubChem CID110640667
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(c2ccc(Cl)cc2)C1)c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O2S/c18-14-5-7-15(8-6-14)21-10-9-13(12-21)11-20-24(22,23)17-4-2-1-3-16(17)19/h1-8,13,20H,9-12H2
InChIKeyXBMQYZDBIKPHKH-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-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

1-(2-chlorophenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413831
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide
CID 136579315
1-(4-chlorophenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413832
1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110640715
2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640329
3-bromo-2-cyano-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 119038418
1-(2-chlorophenyl)-N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110640625
2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66004603
4-fluoro-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110413676
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 86849113
2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813135

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide (CID 110640667) is 2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(c2ccc(Cl)cc2)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is XBMQYZDBIKPHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-14-5-7-15(8-6-14)21-10-9-13(12-21)11-20-24(22,23)17-4-2-1-3-16(17)19/h1-8,13,20H,9-12H2.
What are the key properties of 2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 385.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110640667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).