2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine

C17H19ClN2O2S — CID 58211501

IUPAC2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H19ClN2O2S/c1-13-9-11-20(12-10-13)23(21,22)17-4-2-3-16(19-17)14-5-7-15(18)8-6-14/h2-8,13H,9-12H2,1H3
InChIKeyIHMZNQJZKXZURQ-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.82
Rot. Bonds3

About 2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine

2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine (PubChem CID 58211501) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
PubChem CID58211501
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H19ClN2O2S/c1-13-9-11-20(12-10-13)23(21,22)17-4-2-3-16(19-17)14-5-7-15(18)8-6-14/h2-8,13H,9-12H2,1H3
InChIKeyIHMZNQJZKXZURQ-UHFFFAOYSA-N
XLogP3.82
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine (CID 58211501) is 2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine is CC1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is IHMZNQJZKXZURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-13-9-11-20(12-10-13)23(21,22)17-4-2-3-16(19-17)14-5-7-15(18)8-6-14/h2-8,13H,9-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 350.87 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 58211501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).