2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline

C21H12ClF2NO2S — CID 91595214

IUPAC2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1cccc(F)c1)c1cc2cccc(F)c2nc1-c1cccc(Cl)c1
InChIInChI=1S/C21H12ClF2NO2S/c22-15-6-1-4-13(10-15)21-19(11-14-5-2-9-18(24)20(14)25-21)28(26,27)17-8-3-7-16(23)12-17/h1-12H
InChIKeyBAAPJQRNYLZITM-UHFFFAOYSA-N
MW415.85 g/mol
LogP5.67
Rot. Bonds3

About 2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline

2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline (PubChem CID 91595214) has the molecular formula C21H12ClF2NO2S and a molecular weight of 415.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline.

Molecular Properties

Compound Name2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline
PubChem CID91595214
Molecular FormulaC21H12ClF2NO2S
Molecular Weight415.85 g/mol
Exact Mass415.02
IUPAC Name2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1cccc(F)c1)c1cc2cccc(F)c2nc1-c1cccc(Cl)c1
InChIInChI=1S/C21H12ClF2NO2S/c22-15-6-1-4-13(10-15)21-19(11-14-5-2-9-18(24)20(14)25-21)28(26,27)17-8-3-7-16(23)12-17/h1-12H
InChIKeyBAAPJQRNYLZITM-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 2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline?
The IUPAC name of 2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline (CID 91595214) is 2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline.
What is the SMILES notation for 2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline?
The canonical SMILES for 2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline is O=S(=O)(c1cccc(F)c1)c1cc2cccc(F)c2nc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline?
The InChIKey is BAAPJQRNYLZITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF2NO2S/c22-15-6-1-4-13(10-15)21-19(11-14-5-2-9-18(24)20(14)25-21)28(26,27)17-8-3-7-16(23)12-17/h1-12H.
What are the key properties of 2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline?
2-(3-chlorophenyl)-8-fluoro-3-(3-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 2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline is sourced from PubChem (CID 91595214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).