2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

C17H16F2N2O3S — CID 7657910

IUPAC2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc21
InChIInChI=1S/C17H16F2N2O3S/c1-25(23,24)21-9-3-4-11-10-12(7-8-15(11)21)20-17(22)16-13(18)5-2-6-14(16)19/h2,5-8,10H,3-4,9H2,1H3,(H,20,22)
InChIKeyMMCXEYZLZPTQGW-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.93
Rot. Bonds3

About 2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (PubChem CID 7657910) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
PubChem CID7657910
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc21
InChIInChI=1S/C17H16F2N2O3S/c1-25(23,24)21-9-3-4-11-10-12(7-8-15(11)21)20-17(22)16-13(18)5-2-6-14(16)19/h2,5-8,10H,3-4,9H2,1H3,(H,20,22)
InChIKeyMMCXEYZLZPTQGW-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657892
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7658004
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
CID 7657945
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-yl]benzamide
CID 122190171
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide
CID 18565104
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-nitrobenzamide
CID 7657972
2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657890

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (CID 7657910) is 2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is CS(=O)(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc21.
What is the InChIKey of 2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The InChIKey is MMCXEYZLZPTQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c1-25(23,24)21-9-3-4-11-10-12(7-8-15(11)21)20-17(22)16-13(18)5-2-6-14(16)19/h2,5-8,10H,3-4,9H2,1H3,(H,20,22).
What are the key properties of 2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide has a molecular weight of 366.39 g/mol, XLogP of 2.93, 3 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-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is sourced from PubChem (CID 7657910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).