2-(4-chlorophenyl)sulfanyl-3-phenylquinoline

C21H14ClNS — CID 3675117

IUPAC2-(4-chlorophenyl)sulfanyl-3-phenylquinoline
SMILESClc1ccc(Sc2nc3ccccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C21H14ClNS/c22-17-10-12-18(13-11-17)24-21-19(15-6-2-1-3-7-15)14-16-8-4-5-9-20(16)23-21/h1-14H
InChIKeyAQNFUEADSPPSBR-UHFFFAOYSA-N
MW347.87 g/mol
LogP6.71
Rot. Bonds3

About 2-(4-chlorophenyl)sulfanyl-3-phenylquinoline

2-(4-chlorophenyl)sulfanyl-3-phenylquinoline (PubChem CID 3675117) has the molecular formula C21H14ClNS and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-3-phenylquinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-3-phenylquinoline
PubChem CID3675117
Molecular FormulaC21H14ClNS
Molecular Weight347.87 g/mol
Exact Mass347.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-3-phenylquinoline
SMILESClc1ccc(Sc2nc3ccccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C21H14ClNS/c22-17-10-12-18(13-11-17)24-21-19(15-6-2-1-3-7-15)14-16-8-4-5-9-20(16)23-21/h1-14H
InChIKeyAQNFUEADSPPSBR-UHFFFAOYSA-N
XLogP6.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.87
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-3-phenylquinoline?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-3-phenylquinoline (CID 3675117) is 2-(4-chlorophenyl)sulfanyl-3-phenylquinoline.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-3-phenylquinoline?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-3-phenylquinoline is Clc1ccc(Sc2nc3ccccc3cc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-3-phenylquinoline?
The InChIKey is AQNFUEADSPPSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNS/c22-17-10-12-18(13-11-17)24-21-19(15-6-2-1-3-7-15)14-16-8-4-5-9-20(16)23-21/h1-14H.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-3-phenylquinoline?
2-(4-chlorophenyl)sulfanyl-3-phenylquinoline has a molecular weight of 347.87 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-3-phenylquinoline is sourced from PubChem (CID 3675117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).