2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine

C22H14Cl2N2S — CID 141479321

IUPAC2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine
SMILESClc1ccc(-c2ncccc2Sc2cccnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H14Cl2N2S/c23-17-9-5-15(6-10-17)21-19(3-1-13-25-21)27-20-4-2-14-26-22(20)16-7-11-18(24)12-8-16/h1-14H
InChIKeyHZBTULWXAFZQPQ-UHFFFAOYSA-N
MW409.34 g/mol
LogP7.27
Rot. Bonds4

About 2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine

2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine (PubChem CID 141479321) has the molecular formula C22H14Cl2N2S and a molecular weight of 409.34 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine
PubChem CID141479321
Molecular FormulaC22H14Cl2N2S
Molecular Weight409.34 g/mol
Exact Mass408.03
IUPAC Name2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine
SMILESClc1ccc(-c2ncccc2Sc2cccnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H14Cl2N2S/c23-17-9-5-15(6-10-17)21-19(3-1-13-25-21)27-20-4-2-14-26-22(20)16-7-11-18(24)12-8-16/h1-14H
InChIKeyHZBTULWXAFZQPQ-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.34
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine (CID 141479321) is 2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine is Clc1ccc(-c2ncccc2Sc2cccnc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine?
The InChIKey is HZBTULWXAFZQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2S/c23-17-9-5-15(6-10-17)21-19(3-1-13-25-21)27-20-4-2-14-26-22(20)16-7-11-18(24)12-8-16/h1-14H.
What are the key properties of 2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine?
2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine has a molecular weight of 409.34 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-3-pyridinyl]sulfanyl]pyridine is sourced from PubChem (CID 141479321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).