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

C16H14ClNO4S — CID 110635300

IUPAC1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO4S/c1-22-12-5-6-15-14(10-12)16(19)7-8-18(15)23(20,21)13-4-2-3-11(17)9-13/h2-6,9-10H,7-8H2,1H3
InChIKeyFNDFSNFXEGXJLH-UHFFFAOYSA-N
MW351.81 g/mol
LogP3.13
Rot. Bonds3

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

1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 110635300) has the molecular formula C16H14ClNO4S and a molecular weight of 351.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
PubChem CID110635300
Molecular FormulaC16H14ClNO4S
Molecular Weight351.81 g/mol
Exact Mass351.03
IUPAC Name1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO4S/c1-22-12-5-6-15-14(10-12)16(19)7-8-18(15)23(20,21)13-4-2-3-11(17)9-13/h2-6,9-10H,7-8H2,1H3
InChIKeyFNDFSNFXEGXJLH-UHFFFAOYSA-N
XLogP3.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110406799
1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635273
1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one
CID 595498
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635279
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604097
7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
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-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 67505503
6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110635033
methyl 3-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoate
CID 71036634

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one (CID 110635300) is 1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one is COc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is FNDFSNFXEGXJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4S/c1-22-12-5-6-15-14(10-12)16(19)7-8-18(15)23(20,21)13-4-2-3-11(17)9-13/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one?
1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 351.81 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).