1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one

C17H17NO3S — CID 110604092

IUPAC1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCC(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C17H17NO3S/c1-12-7-8-17(13(2)11-12)22(20,21)18-10-9-16(19)14-5-3-4-6-15(14)18/h3-8,11H,9-10H2,1-2H3
InChIKeyFPIHVAWIGMQLBV-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.09
Rot. Bonds2

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

1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one (PubChem CID 110604092) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
PubChem CID110604092
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCC(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C17H17NO3S/c1-12-7-8-17(13(2)11-12)22(20,21)18-10-9-16(19)14-5-3-4-6-15(14)18/h3-8,11H,9-10H2,1-2H3
InChIKeyFPIHVAWIGMQLBV-UHFFFAOYSA-N
XLogP3.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile
CID 110634944
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28707117
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]isoindole-1,3-dione
CID 113082559
1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one
CID 110406435
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
CID 114456098
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110406441
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(1,3-benzodioxol-5-ylsulfonyl)-2,3-dihydroquinolin-4-one
CID 110424789
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]phenyl]sulfonyl-2,3-dihydroindole
CID 174914692
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604097

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one (CID 110604092) is 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one is Cc1ccc(S(=O)(=O)N2CCC(=O)c3ccccc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The InChIKey is FPIHVAWIGMQLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-12-7-8-17(13(2)11-12)22(20,21)18-10-9-16(19)14-5-3-4-6-15(14)18/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one has a molecular weight of 315.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110604092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).