3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one

C22H14ClF2NO3S — CID 2137269

IUPAC3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one
SMILESO=c1c(S(=O)(=O)c2ccc(Cl)cc2)cn(Cc2cccc(F)c2)c2ccc(F)cc12
InChIInChI=1S/C22H14ClF2NO3S/c23-15-4-7-18(8-5-15)30(28,29)21-13-26(12-14-2-1-3-16(24)10-14)20-9-6-17(25)11-19(20)22(21)27/h1-11,13H,12H2
InChIKeyFJHZBKPIHVUJFP-UHFFFAOYSA-N
MW445.87 g/mol
LogP4.81
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one

3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one (PubChem CID 2137269) has the molecular formula C22H14ClF2NO3S and a molecular weight of 445.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one
PubChem CID2137269
Molecular FormulaC22H14ClF2NO3S
Molecular Weight445.87 g/mol
Exact Mass445.04
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one
SMILESO=c1c(S(=O)(=O)c2ccc(Cl)cc2)cn(Cc2cccc(F)c2)c2ccc(F)cc12
InChIInChI=1S/C22H14ClF2NO3S/c23-15-4-7-18(8-5-15)30(28,29)21-13-26(12-14-2-1-3-16(24)10-14)20-9-6-17(25)11-19(20)22(21)27/h1-11,13H,12H2
InChIKeyFJHZBKPIHVUJFP-UHFFFAOYSA-N
XLogP4.81
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.87
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one (CID 2137269) is 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one is O=c1c(S(=O)(=O)c2ccc(Cl)cc2)cn(Cc2cccc(F)c2)c2ccc(F)cc12.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The InChIKey is FJHZBKPIHVUJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2NO3S/c23-15-4-7-18(8-5-15)30(28,29)21-13-26(12-14-2-1-3-16(24)10-14)20-9-6-17(25)11-19(20)22(21)27/h1-11,13H,12H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one has a molecular weight of 445.87 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one is sourced from PubChem (CID 2137269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).