3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one

C17H15NO4S — CID 167344437

IUPAC3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one
SMILESCCc1ccc(S(=O)(=O)c2c[nH]c3ccc(O)cc3c2=O)cc1
InChIInChI=1S/C17H15NO4S/c1-2-11-3-6-13(7-4-11)23(21,22)16-10-18-15-8-5-12(19)9-14(15)17(16)20/h3-10,19H,2H2,1H3,(H,18,20)
InChIKeyMDYAKFJJCNCHAN-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.63
Rot. Bonds3

About 3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one

3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one (PubChem CID 167344437) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one
PubChem CID167344437
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one
SMILESCCc1ccc(S(=O)(=O)c2c[nH]c3ccc(O)cc3c2=O)cc1
InChIInChI=1S/C17H15NO4S/c1-2-11-3-6-13(7-4-11)23(21,22)16-10-18-15-8-5-12(19)9-14(15)17(16)20/h3-10,19H,2H2,1H3,(H,18,20)
InChIKeyMDYAKFJJCNCHAN-UHFFFAOYSA-N
XLogP2.63
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethoxy-3-(4-ethylphenyl)sulfonyl-1H-quinolin-4-one
CID 18590251
6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one
CID 2137956
3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one
CID 2136458
4-(2,4-diethylphenyl)sulfonylphenol
CID 71331194
5-ethyl-1H-indole-3-sulfonyl chloride
CID 82374069
4-[(6-chloro-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile
CID 46507225
3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
CID 22425158
3-(benzenesulfonyl)-1H-quinolin-4-one
CID 6619653
3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one
CID 22425109
N-(4-ethylphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
CID 6622035
2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol
CID 58955092
3-(azepane-1-carbonyl)-N-(4-ethylphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990627

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one?
The IUPAC name of 3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one (CID 167344437) is 3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one?
The canonical SMILES for 3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one is CCc1ccc(S(=O)(=O)c2c[nH]c3ccc(O)cc3c2=O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one?
The InChIKey is MDYAKFJJCNCHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-2-11-3-6-13(7-4-11)23(21,22)16-10-18-15-8-5-12(19)9-14(15)17(16)20/h3-10,19H,2H2,1H3,(H,18,20).
What are the key properties of 3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one?
3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one has a molecular weight of 329.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one is sourced from PubChem (CID 167344437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).