4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline

C22H15ClFNO3S — CID 25169197

IUPAC4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline
SMILESCOc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15ClFNO3S/c1-28-16-9-11-17(12-10-16)29(26,27)20-13-25-22-18(3-2-4-19(22)24)21(20)14-5-7-15(23)8-6-14/h2-13H,1H3
InChIKeyPRFDVXVCGDKELM-UHFFFAOYSA-N
MW427.88 g/mol
LogP5.54
Rot. Bonds4

About 4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline

4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline (PubChem CID 25169197) has the molecular formula C22H15ClFNO3S and a molecular weight of 427.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline
PubChem CID25169197
Molecular FormulaC22H15ClFNO3S
Molecular Weight427.88 g/mol
Exact Mass427.04
IUPAC Name4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline
SMILESCOc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15ClFNO3S/c1-28-16-9-11-17(12-10-16)29(26,27)20-13-25-22-18(3-2-4-19(22)24)21(20)14-5-7-15(23)8-6-14/h2-13H,1H3
InChIKeyPRFDVXVCGDKELM-UHFFFAOYSA-N
XLogP5.54
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.88
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline?
The IUPAC name of 4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline (CID 25169197) is 4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline?
The canonical SMILES for 4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline is COc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline?
The InChIKey is PRFDVXVCGDKELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO3S/c1-28-16-9-11-17(12-10-16)29(26,27)20-13-25-22-18(3-2-4-19(22)24)21(20)14-5-7-15(23)8-6-14/h2-13H,1H3.
What are the key properties of 4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline?
4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline has a molecular weight of 427.88 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline is sourced from PubChem (CID 25169197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).