3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one

C17H13F2NO3S — CID 53337125

IUPAC3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one
SMILESCc1ccc(S(=O)(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)cc1C
InChIInChI=1S/C17H13F2NO3S/c1-9-3-4-11(5-10(9)2)24(22,23)16-8-20-15-7-14(19)13(18)6-12(15)17(16)21/h3-8H,1-2H3,(H,20,21)
InChIKeyVOSZQKPSAQKMFP-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.26
Rot. Bonds2

About 3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one

3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one (PubChem CID 53337125) has the molecular formula C17H13F2NO3S and a molecular weight of 349.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one
PubChem CID53337125
Molecular FormulaC17H13F2NO3S
Molecular Weight349.36 g/mol
Exact Mass349.06
IUPAC Name3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one
SMILESCc1ccc(S(=O)(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)cc1C
InChIInChI=1S/C17H13F2NO3S/c1-9-3-4-11(5-10(9)2)24(22,23)16-8-20-15-7-14(19)13(18)6-12(15)17(16)21/h3-8H,1-2H3,(H,20,21)
InChIKeyVOSZQKPSAQKMFP-UHFFFAOYSA-N
XLogP3.26
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
CID 22425158
3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one
CID 2136458
3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one
CID 22425109
3-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-1H-quinoline-7-carbonitrile
CID 45498332
6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one
CID 2137956
6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one
CID 46507316
8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
CID 163347228
7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one
CID 22425128
4-[(6-chloro-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile
CID 46507225
3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one
CID 167344437
6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 7017062
3-(benzenesulfonyl)-1H-quinolin-4-one
CID 6619653

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one (CID 53337125) is 3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one is Cc1ccc(S(=O)(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one?
The InChIKey is VOSZQKPSAQKMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3S/c1-9-3-4-11(5-10(9)2)24(22,23)16-8-20-15-7-14(19)13(18)6-12(15)17(16)21/h3-8H,1-2H3,(H,20,21).
What are the key properties of 3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one?
3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one has a molecular weight of 349.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfonyl-6,7-difluoro-1H-quinolin-4-one is sourced from PubChem (CID 53337125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).