2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride

C16H19ClN2O2S — CID 171687259

IUPAC2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride
SMILESCS(=O)(=O)c1ccc(-c2cc(C3CCCN3)ccn2)cc1.Cl
InChIInChI=1S/C16H18N2O2S.ClH/c1-21(19,20)14-6-4-12(5-7-14)16-11-13(8-10-18-16)15-3-2-9-17-15;/h4-8,10-11,15,17H,2-3,9H2,1H3;1H
InChIKeyUTWJLRJWVYVPEL-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride

2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride (PubChem CID 171687259) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride
PubChem CID171687259
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride
SMILESCS(=O)(=O)c1ccc(-c2cc(C3CCCN3)ccn2)cc1.Cl
InChIInChI=1S/C16H18N2O2S.ClH/c1-21(19,20)14-6-4-12(5-7-14)16-11-13(8-10-18-16)15-3-2-9-17-15;/h4-8,10-11,15,17H,2-3,9H2,1H3;1H
InChIKeyUTWJLRJWVYVPEL-UHFFFAOYSA-N
XLogP3.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride 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

(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
CID 171195302
(2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride
CID 162344454
2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine
CID 124956755
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine
CID 95846428
2-(3-methylsulfonylphenyl)azepane
CID 62544544
2-(3-methoxy-4-methylsulfonylphenyl)pyrrolidine
CID 117391561
2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine
CID 117403692
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
4-ethynyl-2-(4-methylsulfonylphenyl)pyridine
CID 171365565
2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride
CID 118741830
2-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrrolidine
CID 117431655

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride?
The IUPAC name of 2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride (CID 171687259) is 2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride is CS(=O)(=O)c1ccc(-c2cc(C3CCCN3)ccn2)cc1.Cl.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride?
The InChIKey is UTWJLRJWVYVPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S.ClH/c1-21(19,20)14-6-4-12(5-7-14)16-11-13(8-10-18-16)15-3-2-9-17-15;/h4-8,10-11,15,17H,2-3,9H2,1H3;1H.
What are the key properties of 2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride?
2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-4-pyrrolidin-2-ylpyridine;hydrochloride is sourced from PubChem (CID 171687259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).