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

C16H17ClN2O2S — CID 2894141

IUPAC3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCCC1c1cccnc1
InChIInChI=1S/C16H17ClN2O2S/c17-14-6-8-15(9-7-14)22(20,21)19-11-2-1-5-16(19)13-4-3-10-18-12-13/h3-4,6-10,12,16H,1-2,5,11H2
InChIKeyRDLAFQXQCBLDQX-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.65
Rot. Bonds3

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

3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine (PubChem CID 2894141) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine
PubChem CID2894141
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCCC1c1cccnc1
InChIInChI=1S/C16H17ClN2O2S/c17-14-6-8-15(9-7-14)22(20,21)19-11-2-1-5-16(19)13-4-3-10-18-12-13/h3-4,6-10,12,16H,1-2,5,11H2
InChIKeyRDLAFQXQCBLDQX-UHFFFAOYSA-N
XLogP3.65
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine?
The IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine (CID 2894141) is 3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine is O=S(=O)(c1ccc(Cl)cc1)N1CCCCC1c1cccnc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine?
The InChIKey is RDLAFQXQCBLDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c17-14-6-8-15(9-7-14)22(20,21)19-11-2-1-5-16(19)13-4-3-10-18-12-13/h3-4,6-10,12,16H,1-2,5,11H2.
What are the key properties of 3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine?
3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine has a molecular weight of 336.84 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]pyridine is sourced from PubChem (CID 2894141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).