4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline

C21H11ClF3NO2S — CID 25168257

IUPAC4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline
SMILESO=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H11ClF3NO2S/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
InChIKeyHIFUQJQLKLBORK-UHFFFAOYSA-N
MW433.84 g/mol
LogP5.81
Rot. Bonds3

About 4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline

4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline (PubChem CID 25168257) has the molecular formula C21H11ClF3NO2S and a molecular weight of 433.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline
PubChem CID25168257
Molecular FormulaC21H11ClF3NO2S
Molecular Weight433.84 g/mol
Exact Mass433.02
IUPAC Name4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline
SMILESO=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H11ClF3NO2S/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
InChIKeyHIFUQJQLKLBORK-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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline?
The IUPAC name of 4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline (CID 25168257) is 4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline?
The canonical SMILES for 4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline is O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline?
The InChIKey is HIFUQJQLKLBORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClF3NO2S/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 4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline?
4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline 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 4-(4-chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-8-fluoroquinoline is sourced from PubChem (CID 25168257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).