N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide

C18H18F2N2O3S — CID 27656037

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C18H18F2N2O3S/c1-2-26(24,25)22-9-3-4-12-5-7-14(11-17(12)22)21-18(23)13-6-8-15(19)16(20)10-13/h5-8,10-11H,2-4,9H2,1H3,(H,21,23)
InChIKeyODEMUBRTFATEMM-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.32
Rot. Bonds4

About N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide (PubChem CID 27656037) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide
PubChem CID27656037
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C18H18F2N2O3S/c1-2-26(24,25)22-9-3-4-12-5-7-14(11-17(12)22)21-18(23)13-6-8-15(19)16(20)10-13/h5-8,10-11H,2-4,9H2,1H3,(H,21,23)
InChIKeyODEMUBRTFATEMM-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27656057
3,4-difluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517474
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
3,4-difluoro-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16931046
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 18565156
4-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963050
2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 16835478
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide (CID 27656037) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide is CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc21.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide?
The InChIKey is ODEMUBRTFATEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c1-2-26(24,25)22-9-3-4-12-5-7-14(11-17(12)22)21-18(23)13-6-8-15(19)16(20)10-13/h5-8,10-11H,2-4,9H2,1H3,(H,21,23).
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide has a molecular weight of 380.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 27656037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).