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

C21H11ClF3NO2S — CID 25167988

IUPAC3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H11ClF3NO2S/c22-17-10-15(6-8-18(17)25)29(27,28)20-11-26-19-9-14(24)5-7-16(19)21(20)12-1-3-13(23)4-2-12/h1-11H
InChIKeyFTVZQBRZEPGBCB-UHFFFAOYSA-N
MW433.84 g/mol
LogP5.81
Rot. Bonds3

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

3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline (PubChem CID 25167988) has the molecular formula C21H11ClF3NO2S and a molecular weight of 433.84 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline
PubChem CID25167988
Molecular FormulaC21H11ClF3NO2S
Molecular Weight433.84 g/mol
Exact Mass433.02
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H11ClF3NO2S/c22-17-10-15(6-8-18(17)25)29(27,28)20-11-26-19-9-14(24)5-7-16(19)21(20)12-1-3-13(23)4-2-12/h1-11H
InChIKeyFTVZQBRZEPGBCB-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 3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-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 3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline (CID 25167988) is 3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline is O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline?
The InChIKey is FTVZQBRZEPGBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClF3NO2S/c22-17-10-15(6-8-18(17)25)29(27,28)20-11-26-19-9-14(24)5-7-16(19)21(20)12-1-3-13(23)4-2-12/h1-11H.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline?
3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-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 3-(3-chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline is sourced from PubChem (CID 25167988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).