3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline

C21H11Cl2F2NO2S — CID 25169193

IUPAC3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H11Cl2F2NO2S/c22-13-8-14(23)10-16(9-13)29(27,28)19-11-26-21-17(2-1-3-18(21)25)20(19)12-4-6-15(24)7-5-12/h1-11H
InChIKeyIVFFCJPNVPTZAQ-UHFFFAOYSA-N
MW450.29 g/mol
LogP6.32
Rot. Bonds3

About 3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline

3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline (PubChem CID 25169193) has the molecular formula C21H11Cl2F2NO2S and a molecular weight of 450.29 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline
PubChem CID25169193
Molecular FormulaC21H11Cl2F2NO2S
Molecular Weight450.29 g/mol
Exact Mass448.99
IUPAC Name3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H11Cl2F2NO2S/c22-13-8-14(23)10-16(9-13)29(27,28)19-11-26-21-17(2-1-3-18(21)25)20(19)12-4-6-15(24)7-5-12/h1-11H
InChIKeyIVFFCJPNVPTZAQ-UHFFFAOYSA-N
XLogP6.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.29
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline?
The IUPAC name of 3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline (CID 25169193) is 3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline.
What is the SMILES notation for 3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline?
The canonical SMILES for 3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline is O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline?
The InChIKey is IVFFCJPNVPTZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2F2NO2S/c22-13-8-14(23)10-16(9-13)29(27,28)19-11-26-21-17(2-1-3-18(21)25)20(19)12-4-6-15(24)7-5-12/h1-11H.
What are the key properties of 3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline?
3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline has a molecular weight of 450.29 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline is sourced from PubChem (CID 25169193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).