1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide

C23H17F3N2O3S — CID 6479587

IUPAC1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide
SMILESCOc1ccc2nc(/C=C/c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1
InChIInChI=1S/C23H17F3N2O3S/c1-31-20-10-12-22-17(14-20)6-8-18(27-22)7-5-15-3-2-4-16-13-19(9-11-21(15)16)28-32(29,30)23(24,25)26/h2-14,28H,1H3/b7-5+
InChIKeyVNHDARHZIXCZOZ-FNORWQNLSA-N
MW458.46 g/mol
LogP5.83
Rot. Bonds5

About 1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide

1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide (PubChem CID 6479587) has the molecular formula C23H17F3N2O3S and a molecular weight of 458.46 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide
PubChem CID6479587
Molecular FormulaC23H17F3N2O3S
Molecular Weight458.46 g/mol
Exact Mass458.09
IUPAC Name1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide
SMILESCOc1ccc2nc(/C=C/c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1
InChIInChI=1S/C23H17F3N2O3S/c1-31-20-10-12-22-17(14-20)6-8-18(27-22)7-5-15-3-2-4-16-13-19(9-11-21(15)16)28-32(29,30)23(24,25)26/h2-14,28H,1H3/b7-5+
InChIKeyVNHDARHZIXCZOZ-FNORWQNLSA-N
XLogP5.83
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide with MolForge

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Related Compounds

(6-Methoxy-2-methyl-quinolin-4-yl)-p-tolyl-amine
CID 23724347
C,C,C-Trifluoro-N-[7-(quinolin-2-ylmethoxy)-naphthalen-2-yl]-methanesulfonamide
CID 10455491
2-Methoxy-7-methylacridin-9-amine
CID 49863666
4-[6-(2-Fluoroethoxy)-2-quinolinyl]benzenamine
CID 76023983
Thk-523 F-18
CID 53362021
6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinolinamine
CID 4841980
6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine;hydrochloride
CID 44533066
6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride
CID 44533072
3-[3-(4-Methoxy-2-methylphenyl)-6-methylisoquinolin-1-yl]aniline
CID 145985388
N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine
CID 698974
6-methoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 831190
6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine
CID 44533067

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide (CID 6479587) is 1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide is COc1ccc2nc(/C=C/c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1.
What is the InChIKey of 1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide?
The InChIKey is VNHDARHZIXCZOZ-FNORWQNLSA-N. The full InChI is InChI=1S/C23H17F3N2O3S/c1-31-20-10-12-22-17(14-20)6-8-18(27-22)7-5-15-3-2-4-16-13-19(9-11-21(15)16)28-32(29,30)23(24,25)26/h2-14,28H,1H3/b7-5+.
What are the key properties of 1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide has a molecular weight of 458.46 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 6479587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).