1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one

C15H11ClFNO3S — CID 67505503

IUPAC1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc21
InChIInChI=1S/C15H11ClFNO3S/c16-10-1-4-12(5-2-10)22(20,21)18-8-7-15(19)13-9-11(17)3-6-14(13)18/h1-6,9H,7-8H2
InChIKeyQORUKSSHJDKASJ-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.26
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one

1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one (PubChem CID 67505503) has the molecular formula C15H11ClFNO3S and a molecular weight of 339.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
PubChem CID67505503
Molecular FormulaC15H11ClFNO3S
Molecular Weight339.78 g/mol
Exact Mass339.01
IUPAC Name1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc21
InChIInChI=1S/C15H11ClFNO3S/c16-10-1-4-12(5-2-10)22(20,21)18-8-7-15(19)13-9-11(17)3-6-14(13)18/h1-6,9H,7-8H2
InChIKeyQORUKSSHJDKASJ-UHFFFAOYSA-N
XLogP3.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-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

1-(3-chloro-4-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635146
1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 110406671
1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one
CID 110406435
2-[1-(4-chlorophenyl)sulfonyl-6-fluoro-4-oxo-2,3-dihydroquinolin-3-yl]-2-oxoacetic acid
CID 123606327
6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110635033
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635300
1-(4-chlorophenyl)sulfonyl-2H-indol-3-one
CID 172633432
6-fluoro-1-[(2-methylphenyl)methylsulfonyl]-2,3-dihydroquinolin-4-one
CID 110635148
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole
CID 148988411
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one (CID 67505503) is 1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one is O=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one?
The InChIKey is QORUKSSHJDKASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3S/c16-10-1-4-12(5-2-10)22(20,21)18-8-7-15(19)13-9-11(17)3-6-14(13)18/h1-6,9H,7-8H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one?
1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one has a molecular weight of 339.78 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 67505503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).