2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline

C19H17Cl2N3O2S — CID 68554108

IUPAC2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline
SMILESO=S(=O)(c1ccc2ccccc2n1)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C19H17Cl2N3O2S/c20-15-11-22-12-16(21)19(15)24-9-7-14(8-10-24)27(25,26)18-6-5-13-3-1-2-4-17(13)23-18/h1-6,11-12,14H,7-10H2
InChIKeyTXPRLIRYJGPJGS-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.38
Rot. Bonds3

About 2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline

2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline (PubChem CID 68554108) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is 2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline.

Molecular Properties

Compound Name2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline
PubChem CID68554108
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC Name2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline
SMILESO=S(=O)(c1ccc2ccccc2n1)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C19H17Cl2N3O2S/c20-15-11-22-12-16(21)19(15)24-9-7-14(8-10-24)27(25,26)18-6-5-13-3-1-2-4-17(13)23-18/h1-6,11-12,14H,7-10H2
InChIKeyTXPRLIRYJGPJGS-UHFFFAOYSA-N
XLogP4.38
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline?
The IUPAC name of 2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline (CID 68554108) is 2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline.
What is the SMILES notation for 2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline?
The canonical SMILES for 2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline is O=S(=O)(c1ccc2ccccc2n1)C1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline?
The InChIKey is TXPRLIRYJGPJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c20-15-11-22-12-16(21)19(15)24-9-7-14(8-10-24)27(25,26)18-6-5-13-3-1-2-4-17(13)23-18/h1-6,11-12,14H,7-10H2.
What are the key properties of 2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline?
2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline has a molecular weight of 422.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]sulfonylquinoline is sourced from PubChem (CID 68554108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).