3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one

C17H13ClFNO3S — CID 20874612

IUPAC3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C17H13ClFNO3S/c1-2-20-10-16(17(21)14-9-12(19)5-8-15(14)20)24(22,23)13-6-3-11(18)4-7-13/h3-10H,2H2,1H3
InChIKeyLXLFWHSXJSNPSM-UHFFFAOYSA-N
MW365.81 g/mol
LogP3.65
Rot. Bonds3

About 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one

3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one (PubChem CID 20874612) has the molecular formula C17H13ClFNO3S and a molecular weight of 365.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one
PubChem CID20874612
Molecular FormulaC17H13ClFNO3S
Molecular Weight365.81 g/mol
Exact Mass365.03
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C17H13ClFNO3S/c1-2-20-10-16(17(21)14-9-12(19)5-8-15(14)20)24(22,23)13-6-3-11(18)4-7-13/h3-10H,2H2,1H3
InChIKeyLXLFWHSXJSNPSM-UHFFFAOYSA-N
XLogP3.65
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
CID 20905140
6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874575
1-ethyl-3-(4-ethylphenyl)sulfonyl-6,7-difluoroquinolin-4-one
CID 20874603
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137247
1-[(3-chlorophenyl)methyl]-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874581
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 2137282
1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 20874609
6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2138212
3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
CID 53337143
N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 20869314
1-butyl-3-(4-chlorophenyl)sulfonyl-6-ethoxyquinolin-4-one
CID 18559326
3-(4-fluorophenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137140

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one (CID 20874612) is 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one is CCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)ccc21.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one?
The InChIKey is LXLFWHSXJSNPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3S/c1-2-20-10-16(17(21)14-9-12(19)5-8-15(14)20)24(22,23)13-6-3-11(18)4-7-13/h3-10H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one?
3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one has a molecular weight of 365.81 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one is sourced from PubChem (CID 20874612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).