3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline

C21H11F4NO2S — CID 25168387

IUPAC3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline
SMILESO=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H11F4NO2S/c22-13-6-4-12(5-7-13)20-15-2-1-3-17(24)21(15)26-11-19(20)29(27,28)14-8-9-16(23)18(25)10-14/h1-11H
InChIKeyBRBPBGIWVKHCHE-UHFFFAOYSA-N
MW417.38 g/mol
LogP5.29
Rot. Bonds3

About 3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline

3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline (PubChem CID 25168387) has the molecular formula C21H11F4NO2S and a molecular weight of 417.38 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline
PubChem CID25168387
Molecular FormulaC21H11F4NO2S
Molecular Weight417.38 g/mol
Exact Mass417.04
IUPAC Name3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline
SMILESO=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H11F4NO2S/c22-13-6-4-12(5-7-13)20-15-2-1-3-17(24)21(15)26-11-19(20)29(27,28)14-8-9-16(23)18(25)10-14/h1-11H
InChIKeyBRBPBGIWVKHCHE-UHFFFAOYSA-N
XLogP5.29
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-difluorophenyl)sulfonyl-8-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

Related Compounds

8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
CID 25169332
4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline
CID 25169197
3-(3,4-difluorophenyl)sulfonyl-4-(3-fluorophenyl)-7-nitroquinoline
CID 67000175
3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline
CID 25167451
3-(3,5-dichlorophenyl)sulfinyl-4-(3,4-difluorophenyl)-8-fluoroquinoline
CID 70287123
4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline
CID 56923463
7-fluoro-5-(4-fluorophenyl)sulfonylquinolin-8-ol
CID 122440001
4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole
CID 165351153
2-(3,4-difluorophenyl)sulfonyl-7-fluoro-4-(3-fluorophenyl)quinoline
CID 90790794
2-(3,4-difluorophenyl)sulfonyl-4-(3-fluorophenyl)quinoline
CID 91610952
3-fluoro-2-(4-fluorophenyl)benzenesulfonyl chloride
CID 46312280
2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline
CID 91595214

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline?
The IUPAC name of 3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline (CID 25168387) is 3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline is O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline?
The InChIKey is BRBPBGIWVKHCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F4NO2S/c22-13-6-4-12(5-7-13)20-15-2-1-3-17(24)21(15)26-11-19(20)29(27,28)14-8-9-16(23)18(25)10-14/h1-11H.
What are the key properties of 3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline?
3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline has a molecular weight of 417.38 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline is sourced from PubChem (CID 25168387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).