2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline

C18H20Cl2N2O2S — CID 174365019

IUPAC2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2CCNC2S(=O)(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O2S/c1-22(2)17-8-3-12(11-16(17)20)15-9-10-21-18(15)25(23,24)14-6-4-13(19)5-7-14/h3-8,11,15,18,21H,9-10H2,1-2H3
InChIKeyPVPAMFIBCNCOIV-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.94
Rot. Bonds4

About 2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline

2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline (PubChem CID 174365019) has the molecular formula C18H20Cl2N2O2S and a molecular weight of 399.34 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline
PubChem CID174365019
Molecular FormulaC18H20Cl2N2O2S
Molecular Weight399.34 g/mol
Exact Mass398.06
IUPAC Name2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2CCNC2S(=O)(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O2S/c1-22(2)17-8-3-12(11-16(17)20)15-9-10-21-18(15)25(23,24)14-6-4-13(19)5-7-14/h3-8,11,15,18,21H,9-10H2,1-2H3
InChIKeyPVPAMFIBCNCOIV-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline 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 2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline?
The IUPAC name of 2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline (CID 174365019) is 2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline is CN(C)c1ccc(C2CCNC2S(=O)(=O)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline?
The InChIKey is PVPAMFIBCNCOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2S/c1-22(2)17-8-3-12(11-16(17)20)15-9-10-21-18(15)25(23,24)14-6-4-13(19)5-7-14/h3-8,11,15,18,21H,9-10H2,1-2H3.
What are the key properties of 2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline?
2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline has a molecular weight of 399.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 174365019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).