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

C23H17ClFNO3S — CID 2137248

IUPAC3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one
SMILESCc1ccc(Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C23H17ClFNO3S/c1-15-2-4-16(5-3-15)13-26-14-22(23(27)20-12-18(25)8-11-21(20)26)30(28,29)19-9-6-17(24)7-10-19/h2-12,14H,13H2,1H3
InChIKeyAUJYKTBJTCUIDW-UHFFFAOYSA-N
MW441.91 g/mol
LogP4.98
Rot. Bonds4

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

3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one (PubChem CID 2137248) has the molecular formula C23H17ClFNO3S and a molecular weight of 441.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one
PubChem CID2137248
Molecular FormulaC23H17ClFNO3S
Molecular Weight441.91 g/mol
Exact Mass441.06
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one
SMILESCc1ccc(Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C23H17ClFNO3S/c1-15-2-4-16(5-3-15)13-26-14-22(23(27)20-12-18(25)8-11-21(20)26)30(28,29)19-9-6-17(24)7-10-19/h2-12,14H,13H2,1H3
InChIKeyAUJYKTBJTCUIDW-UHFFFAOYSA-N
XLogP4.98
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.91
LogP ≤ 54.98
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-[(4-methylphenyl)methyl]quinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one (CID 2137248) is 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one is Cc1ccc(Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one?
The InChIKey is AUJYKTBJTCUIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNO3S/c1-15-2-4-16(5-3-15)13-26-14-22(23(27)20-12-18(25)8-11-21(20)26)30(28,29)19-9-6-17(24)7-10-19/h2-12,14H,13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one?
3-(4-chlorophenyl)sulfonyl-6-fluoro-1-[(4-methylphenyl)methyl]quinolin-4-one has a molecular weight of 441.91 g/mol, XLogP of 4.98, 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-[(4-methylphenyl)methyl]quinolin-4-one is sourced from PubChem (CID 2137248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).