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

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]isoquinoline
CID 68553778
3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121108220
1-(3-chloro-2-pyridinyl)piperidin-4-amine;hydrochloride
CID 69359259
3-(3-chlorophenyl)sulfonylcyclopentan-1-amine
CID 64723658
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 47087292
3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
CID 162649934
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 171682723
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122349853
1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine
CID 68550970
N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
CID 171689763
1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
CID 50842397

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).