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

C17H16FNO3S — CID 110406435

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one
SMILESCc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C17H16FNO3S/c1-11-3-6-16-14(9-11)17(20)7-8-19(16)23(21,22)13-4-5-15(18)12(2)10-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeySRYXKDORYZASGM-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.22
Rot. Bonds2

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

1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one (PubChem CID 110406435) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one
PubChem CID110406435
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one
SMILESCc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C17H16FNO3S/c1-11-3-6-16-14(9-11)17(20)7-8-19(16)23(21,22)13-4-5-15(18)12(2)10-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeySRYXKDORYZASGM-UHFFFAOYSA-N
XLogP3.22
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110406441
6-methyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110634928
1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 67505503
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one
CID 110634929
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604092
2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile
CID 110634944
1-(3-chloro-4-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635146
6-[(6-chloro-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110635033
7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636585
1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635300
6-fluoro-4-(4-fluoro-3-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639369

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one (CID 110406435) is 1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one is Cc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is SRYXKDORYZASGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c1-11-3-6-16-14(9-11)17(20)7-8-19(16)23(21,22)13-4-5-15(18)12(2)10-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one?
1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 333.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110406435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).