2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline

C21H11ClF3NO2S — CID 91576521

IUPAC2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)c1cc(-c2ccccc2F)c2ccc(F)cc2n1
InChIInChI=1S/C21H11ClF3NO2S/c22-17-10-13(6-8-19(17)25)29(27,28)21-11-16(14-3-1-2-4-18(14)24)15-7-5-12(23)9-20(15)26-21/h1-11H
InChIKeyXSMVKCYFAFUPHA-UHFFFAOYSA-N
MW433.84 g/mol
LogP5.81
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline

2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline (PubChem CID 91576521) has the molecular formula C21H11ClF3NO2S and a molecular weight of 433.84 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline
PubChem CID91576521
Molecular FormulaC21H11ClF3NO2S
Molecular Weight433.84 g/mol
Exact Mass433.02
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)c1cc(-c2ccccc2F)c2ccc(F)cc2n1
InChIInChI=1S/C21H11ClF3NO2S/c22-17-10-13(6-8-19(17)25)29(27,28)21-11-16(14-3-1-2-4-18(14)24)15-7-5-12(23)9-20(15)26-21/h1-11H
InChIKeyXSMVKCYFAFUPHA-UHFFFAOYSA-N
XLogP5.81
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.84
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline (CID 91576521) is 2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline is O=S(=O)(c1ccc(F)c(Cl)c1)c1cc(-c2ccccc2F)c2ccc(F)cc2n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline?
The InChIKey is XSMVKCYFAFUPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClF3NO2S/c22-17-10-13(6-8-19(17)25)29(27,28)21-11-16(14-3-1-2-4-18(14)24)15-7-5-12(23)9-20(15)26-21/h1-11H.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline?
2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline has a molecular weight of 433.84 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(2-fluorophenyl)quinoline is sourced from PubChem (CID 91576521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).