1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one

C16H14ClNO4S — CID 110604097

IUPAC1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C16H14ClNO4S/c1-22-16-7-6-11(10-13(16)17)23(20,21)18-9-8-15(19)12-4-2-3-5-14(12)18/h2-7,10H,8-9H2,1H3
InChIKeyFEZFIYMIBLMBAW-UHFFFAOYSA-N
MW351.81 g/mol
LogP3.13
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one

1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one (PubChem CID 110604097) has the molecular formula C16H14ClNO4S and a molecular weight of 351.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
PubChem CID110604097
Molecular FormulaC16H14ClNO4S
Molecular Weight351.81 g/mol
Exact Mass351.03
IUPAC Name1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C16H14ClNO4S/c1-22-16-7-6-11(10-13(16)17)23(20,21)18-9-8-15(19)12-4-2-3-5-14(12)18/h2-7,10H,8-9H2,1H3
InChIKeyFEZFIYMIBLMBAW-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

1-(3-chloro-4-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635146
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
1-(1,3-benzodioxol-5-ylsulfonyl)-2,3-dihydroquinolin-4-one
CID 110424789
1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635300
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635399
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635273
1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635382

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one (CID 110604097) is 1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one is COc1ccc(S(=O)(=O)N2CCC(=O)c3ccccc32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The InChIKey is FEZFIYMIBLMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4S/c1-22-16-7-6-11(10-13(16)17)23(20,21)18-9-8-15(19)12-4-2-3-5-14(12)18/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
1-(3-chloro-4-methoxyphenyl)sulfonyl-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-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110604097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).