3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine

C16H16Cl2N2O2S — CID 68552401

IUPAC3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine
SMILESO=S(=O)(c1cccc(Cl)c1)C1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C16H16Cl2N2O2S/c17-12-3-1-4-14(11-12)23(21,22)13-6-9-20(10-7-13)16-15(18)5-2-8-19-16/h1-5,8,11,13H,6-7,9-10H2
InChIKeyBKHPLKFJBHCYCU-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.83
Rot. Bonds3

About 3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine

3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine (PubChem CID 68552401) has the molecular formula C16H16Cl2N2O2S and a molecular weight of 371.29 g/mol. Its IUPAC name is 3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine
PubChem CID68552401
Molecular FormulaC16H16Cl2N2O2S
Molecular Weight371.29 g/mol
Exact Mass370.03
IUPAC Name3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine
SMILESO=S(=O)(c1cccc(Cl)c1)C1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C16H16Cl2N2O2S/c17-12-3-1-4-14(11-12)23(21,22)13-6-9-20(10-7-13)16-15(18)5-2-8-19-16/h1-5,8,11,13H,6-7,9-10H2
InChIKeyBKHPLKFJBHCYCU-UHFFFAOYSA-N
XLogP3.83
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine 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 3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine (CID 68552401) is 3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine is O=S(=O)(c1cccc(Cl)c1)C1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine?
The InChIKey is BKHPLKFJBHCYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2S/c17-12-3-1-4-14(11-12)23(21,22)13-6-9-20(10-7-13)16-15(18)5-2-8-19-16/h1-5,8,11,13H,6-7,9-10H2.
What are the key properties of 3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine?
3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine has a molecular weight of 371.29 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(3-chlorophenyl)sulfonylpiperidin-1-yl]pyridine is sourced from PubChem (CID 68552401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).