2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H16F3N3O4S — CID 46406856

IUPAC2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3cccnc3OCC(F)(F)F)ccc2N1
InChIInChI=1S/C17H16F3N3O4S/c18-17(19,20)10-27-16-12(2-1-7-21-16)9-22-28(25,26)13-4-5-14-11(8-13)3-6-15(24)23-14/h1-2,4-5,7-8,22H,3,6,9-10H2,(H,23,24)
InChIKeyFSHQHJHXXLTQHJ-UHFFFAOYSA-N
MW415.39 g/mol
LogP2.39
Rot. Bonds6

About 2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide

2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 46406856) has the molecular formula C17H16F3N3O4S and a molecular weight of 415.39 g/mol. Its IUPAC name is 2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID46406856
Molecular FormulaC17H16F3N3O4S
Molecular Weight415.39 g/mol
Exact Mass415.08
IUPAC Name2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3cccnc3OCC(F)(F)F)ccc2N1
InChIInChI=1S/C17H16F3N3O4S/c18-17(19,20)10-27-16-12(2-1-7-21-16)9-22-28(25,26)13-4-5-14-11(8-13)3-6-15(24)23-14/h1-2,4-5,7-8,22H,3,6,9-10H2,(H,23,24)
InChIKeyFSHQHJHXXLTQHJ-UHFFFAOYSA-N
XLogP2.39
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 51200460
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
2-oxo-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106730
2-nitro-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide
CID 34139784
1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 35672961
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 9190077
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]acetamide
CID 8801657
2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 27665585
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56561825
N-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7601955
2-oxo-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55681981
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 122253370

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 46406856) is 2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCc3cccnc3OCC(F)(F)F)ccc2N1.
What is the InChIKey of 2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is FSHQHJHXXLTQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O4S/c18-17(19,20)10-27-16-12(2-1-7-21-16)9-22-28(25,26)13-4-5-14-11(8-13)3-6-15(24)23-14/h1-2,4-5,7-8,22H,3,6,9-10H2,(H,23,24).
What are the key properties of 2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 415.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 46406856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).