4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide

C18H16F4N2O3S — CID 134025719

IUPAC4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCCc3cccc(F)c32)cc1
InChIInChI=1S/C18H16F4N2O3S/c19-15-5-1-3-12-4-2-10-24(16(12)15)28(26,27)14-8-6-13(7-9-14)17(25)23-11-18(20,21)22/h1,3,5-9H,2,4,10-11H2,(H,23,25)
InChIKeyGGTGHPAAMCMCLY-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.26
Rot. Bonds4

About 4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 134025719) has the molecular formula C18H16F4N2O3S and a molecular weight of 416.40 g/mol. Its IUPAC name is 4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID134025719
Molecular FormulaC18H16F4N2O3S
Molecular Weight416.40 g/mol
Exact Mass416.08
IUPAC Name4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCCc3cccc(F)c32)cc1
InChIInChI=1S/C18H16F4N2O3S/c19-15-5-1-3-12-4-2-10-24(16(12)15)28(26,27)14-8-6-13(7-9-14)17(25)23-11-18(20,21)22/h1,3,5-9H,2,4,10-11H2,(H,23,25)
InChIKeyGGTGHPAAMCMCLY-UHFFFAOYSA-N
XLogP3.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Related Compounds

4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 32737680
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid
CID 56797604
7-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 56798632
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16548505
4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31579011
4-[3-(azepan-1-yl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 86900559
4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78808928
4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119970062
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119975015
4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51294950

Frequently Asked Questions

What is the IUPAC name of 4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 134025719) is 4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCCc3cccc(F)c32)cc1.
What is the InChIKey of 4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is GGTGHPAAMCMCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3S/c19-15-5-1-3-12-4-2-10-24(16(12)15)28(26,27)14-8-6-13(7-9-14)17(25)23-11-18(20,21)22/h1,3,5-9H,2,4,10-11H2,(H,23,25).
What are the key properties of 4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 416.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 134025719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).