2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide

C23H20F2N2O3S — CID 18578056

IUPAC2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4c(F)cccc4F)cc32)cc1
InChIInChI=1S/C23H20F2N2O3S/c1-15-7-11-18(12-8-15)31(29,30)27-13-3-4-16-9-10-17(14-21(16)27)26-23(28)22-19(24)5-2-6-20(22)25/h2,5-12,14H,3-4,13H2,1H3,(H,26,28)
InChIKeyFFGYCOWEIZCZDS-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.67
Rot. Bonds4

About 2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide

2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide (PubChem CID 18578056) has the molecular formula C23H20F2N2O3S and a molecular weight of 442.49 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
PubChem CID18578056
Molecular FormulaC23H20F2N2O3S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4c(F)cccc4F)cc32)cc1
InChIInChI=1S/C23H20F2N2O3S/c1-15-7-11-18(12-8-15)31(29,30)27-13-3-4-16-9-10-17(14-21(16)27)26-23(28)22-19(24)5-2-6-20(22)25/h2,5-12,14H,3-4,13H2,1H3,(H,26,28)
InChIKeyFFGYCOWEIZCZDS-UHFFFAOYSA-N
XLogP4.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl}-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748527
4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide
CID 91827503
7-{[(4-Fluorophenyl)sulfonyl]amino}-1,3,4-trihydroquinolin-2-one
CID 1505863
N-(3-acetamidophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2482626
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208
N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4783068
2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 2181065
2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 3535094
N-(1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 16823330
2,6-difluoro-N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565104
2-chloro-N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565134
2,6-difluoro-N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565138

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide (CID 18578056) is 2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide is Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4c(F)cccc4F)cc32)cc1.
What is the InChIKey of 2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The InChIKey is FFGYCOWEIZCZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3S/c1-15-7-11-18(12-8-15)31(29,30)27-13-3-4-16-9-10-17(14-21(16)27)26-23(28)22-19(24)5-2-6-20(22)25/h2,5-12,14H,3-4,13H2,1H3,(H,26,28).
What are the key properties of 2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide has a molecular weight of 442.49 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide is sourced from PubChem (CID 18578056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).