3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline

C20H19ClN2O2S — CID 20882607

IUPAC3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCCCC1
InChIInChI=1S/C20H19ClN2O2S/c21-15-8-10-16(11-9-15)26(24,25)19-14-22-18-7-3-2-6-17(18)20(19)23-12-4-1-5-13-23/h2-3,6-11,14H,1,4-5,12-13H2
InChIKeyHWFXGXZYNPSHOI-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.71
Rot. Bonds3

About 3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline

3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline (PubChem CID 20882607) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline
PubChem CID20882607
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCCCC1
InChIInChI=1S/C20H19ClN2O2S/c21-15-8-10-16(11-9-15)26(24,25)19-14-22-18-7-3-2-6-17(18)20(19)23-12-4-1-5-13-23/h2-3,6-11,14H,1,4-5,12-13H2
InChIKeyHWFXGXZYNPSHOI-UHFFFAOYSA-N
XLogP4.71
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline (CID 20882607) is 3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline is O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline?
The InChIKey is HWFXGXZYNPSHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-15-8-10-16(11-9-15)26(24,25)19-14-22-18-7-3-2-6-17(18)20(19)23-12-4-1-5-13-23/h2-3,6-11,14H,1,4-5,12-13H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline?
3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline has a molecular weight of 386.90 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline is sourced from PubChem (CID 20882607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).