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

C22H17F3N2O3S — CID 18565138

IUPAC2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1c(F)cccc1F
InChIInChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
InChIKeyFVZFZUZUHQAGGY-UHFFFAOYSA-N
MW446.45 g/mol
LogP4.50
Rot. Bonds4

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

2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide (PubChem CID 18565138) has the molecular formula C22H17F3N2O3S and a molecular weight of 446.45 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
PubChem CID18565138
Molecular FormulaC22H17F3N2O3S
Molecular Weight446.45 g/mol
Exact Mass446.09
IUPAC Name2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1c(F)cccc1F
InChIInChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
InChIKeyFVZFZUZUHQAGGY-UHFFFAOYSA-N
XLogP4.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide (CID 18565138) is 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide is O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The InChIKey is FVZFZUZUHQAGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28).
What are the key properties of 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide has a molecular weight of 446.45 g/mol, XLogP of 4.50, 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-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide is sourced from PubChem (CID 18565138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).