N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide

C22H18F2N2O3S — CID 18565104

IUPACN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1c(F)cccc1F
InChIInChI=1S/C22H18F2N2O3S/c23-18-9-4-10-19(24)21(18)22(27)25-16-12-11-15-6-5-13-26(20(15)14-16)30(28,29)17-7-2-1-3-8-17/h1-4,7-12,14H,5-6,13H2,(H,25,27)
InChIKeySPOKDPLKKXFMIZ-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.36
Rot. Bonds4

About N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide (PubChem CID 18565104) has the molecular formula C22H18F2N2O3S and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide
PubChem CID18565104
Molecular FormulaC22H18F2N2O3S
Molecular Weight428.46 g/mol
Exact Mass428.10
IUPAC NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1c(F)cccc1F
InChIInChI=1S/C22H18F2N2O3S/c23-18-9-4-10-19(24)21(18)22(27)25-16-12-11-15-6-5-13-26(20(15)14-16)30(28,29)17-7-2-1-3-8-17/h1-4,7-12,14H,5-6,13H2,(H,25,27)
InChIKeySPOKDPLKKXFMIZ-UHFFFAOYSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[1-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 69282231
2,6-dichloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 69282851
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chlorobenzamide
CID 18565097
2-chloro-3,6-difluoro-N-[1-(4-methylsulfonylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 69281993
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide
CID 7517742
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-chlorophenyl)urea
CID 30372801
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1H-pyrrole-2-carboxamide
CID 90088376
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide
CID 18565115
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-fluorobenzenesulfonamide
CID 18565180
2-chloro-6-fluoro-N-[1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-6-yl]benzamide
CID 138454916
2,6-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 43990338
2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-yl]benzamide
CID 122190171

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide (CID 18565104) is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide is O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1c(F)cccc1F.
What is the InChIKey of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide?
The InChIKey is SPOKDPLKKXFMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O3S/c23-18-9-4-10-19(24)21(18)22(27)25-16-12-11-15-6-5-13-26(20(15)14-16)30(28,29)17-7-2-1-3-8-17/h1-4,7-12,14H,5-6,13H2,(H,25,27).
What are the key properties of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide?
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide has a molecular weight of 428.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 18565104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).