2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline

C22H15ClFNO3S — CID 90727189

IUPAC2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
SMILESCOc1cccc(S(=O)(=O)c2cc3cc(F)ccc3nc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H15ClFNO3S/c1-28-18-3-2-4-19(13-18)29(26,27)21-12-15-11-17(24)9-10-20(15)25-22(21)14-5-7-16(23)8-6-14/h2-13H,1H3
InChIKeyIHEYAGWEIWGCTI-UHFFFAOYSA-N
MW427.88 g/mol
LogP5.54
Rot. Bonds4

About 2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline

2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline (PubChem CID 90727189) has the molecular formula C22H15ClFNO3S and a molecular weight of 427.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
PubChem CID90727189
Molecular FormulaC22H15ClFNO3S
Molecular Weight427.88 g/mol
Exact Mass427.04
IUPAC Name2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
SMILESCOc1cccc(S(=O)(=O)c2cc3cc(F)ccc3nc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H15ClFNO3S/c1-28-18-3-2-4-19(13-18)29(26,27)21-12-15-11-17(24)9-10-20(15)25-22(21)14-5-7-16(23)8-6-14/h2-13H,1H3
InChIKeyIHEYAGWEIWGCTI-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 2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline?
The IUPAC name of 2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline (CID 90727189) is 2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline?
The canonical SMILES for 2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline is COc1cccc(S(=O)(=O)c2cc3cc(F)ccc3nc2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline?
The InChIKey is IHEYAGWEIWGCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO3S/c1-28-18-3-2-4-19(13-18)29(26,27)21-12-15-11-17(24)9-10-20(15)25-22(21)14-5-7-16(23)8-6-14/h2-13H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline?
2-(4-chlorophenyl)-6-fluoro-3-(3-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 2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline is sourced from PubChem (CID 90727189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).