4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline

C21H12ClF2NO2S — CID 25168657

IUPAC4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H12ClF2NO2S/c22-14-6-4-13(5-7-14)20-17-2-1-3-18(24)21(17)25-12-19(20)28(26,27)16-10-8-15(23)9-11-16/h1-12H
InChIKeyZKWGJICQXOQLFW-UHFFFAOYSA-N
MW415.85 g/mol
LogP5.67
Rot. Bonds3

About 4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline

4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline (PubChem CID 25168657) has the molecular formula C21H12ClF2NO2S and a molecular weight of 415.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline
PubChem CID25168657
Molecular FormulaC21H12ClF2NO2S
Molecular Weight415.85 g/mol
Exact Mass415.02
IUPAC Name4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H12ClF2NO2S/c22-14-6-4-13(5-7-14)20-17-2-1-3-18(24)21(17)25-12-19(20)28(26,27)16-10-8-15(23)9-11-16/h1-12H
InChIKeyZKWGJICQXOQLFW-UHFFFAOYSA-N
XLogP5.67
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.85
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline?
The IUPAC name of 4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline (CID 25168657) is 4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline?
The canonical SMILES for 4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline is O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline?
The InChIKey is ZKWGJICQXOQLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF2NO2S/c22-14-6-4-13(5-7-14)20-17-2-1-3-18(24)21(17)25-12-19(20)28(26,27)16-10-8-15(23)9-11-16/h1-12H.
What are the key properties of 4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline?
4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline has a molecular weight of 415.85 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-8-fluoro-3-(4-fluorophenyl)sulfonylquinoline is sourced from PubChem (CID 25168657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).