fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide

C23H16F5N3O2PdS — CID 58174392

IUPACfluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide
SMILESCc1c(F)c(F)c(F)c(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)c1F.F[Pd+].c1ccncc1
InChIInChI=1S/C18H11F4N2O2S.C5H5N.FH.Pd/c1-10-14(19)16(21)17(22)18(15(10)20)27(25,26)24-13-8-3-2-6-11(13)12-7-4-5-9-23-12;1-2-4-6-5-3-1;;/h2-9H,1H3;1-5H;1H;/q-1;;;+2/p-1
InChIKeySJSNQULFDRUJAI-UHFFFAOYSA-M
MW599.88 g/mol
LogP6.51
Rot. Bonds4

About fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide

fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide (PubChem CID 58174392) has the molecular formula C23H16F5N3O2PdS and a molecular weight of 599.88 g/mol. Its IUPAC name is fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide.

Molecular Properties

Compound Namefluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide
PubChem CID58174392
Molecular FormulaC23H16F5N3O2PdS
Molecular Weight599.88 g/mol
Exact Mass598.99
IUPAC Namefluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide
SMILESCc1c(F)c(F)c(F)c(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)c1F.F[Pd+].c1ccncc1
InChIInChI=1S/C18H11F4N2O2S.C5H5N.FH.Pd/c1-10-14(19)16(21)17(22)18(15(10)20)27(25,26)24-13-8-3-2-6-11(13)12-7-4-5-9-23-12;1-2-4-6-5-3-1;;/h2-9H,1H3;1-5H;1H;/q-1;;;+2/p-1
InChIKeySJSNQULFDRUJAI-UHFFFAOYSA-M
XLogP6.51
TPSA74.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.88
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine
CID 58174390
methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc
CID 59680568
acetic acid;acetonitrile;pentakis(benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide);carbanide;chloropalladium(1+);fluoropalladium(1+);(4-methylphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;tris(palladium);palladium(2+);heptakis(pyridine);bis(trifluoroborane);difluoride
CID 161105047
(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)
CID 58174456
benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
CID 58174475
2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine
CID 88525558
ethane;4-methyl-3-pyridin-2-ylpyridine
CID 143216291
benzo[h]quinolin-10-yl(pyridin-2-ylsulfonyl)azanide;fluoropalladium(1+)
CID 58174325
2-(2-methylphenyl)pyridine
CID 144596153
2-(4,5-difluoro-2-methylphenyl)pyridine;ethane
CID 145481986
2-(2,5-difluoro-4-methylphenyl)pyridine
CID 170974832

Frequently Asked Questions

What is the IUPAC name of fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide?
The IUPAC name of fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide (CID 58174392) is fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide.
What is the SMILES notation for fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide?
The canonical SMILES for fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide is Cc1c(F)c(F)c(F)c(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)c1F.F[Pd+].c1ccncc1.
What is the InChIKey of fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide?
The InChIKey is SJSNQULFDRUJAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H11F4N2O2S.C5H5N.FH.Pd/c1-10-14(19)16(21)17(22)18(15(10)20)27(25,26)24-13-8-3-2-6-11(13)12-7-4-5-9-23-12;1-2-4-6-5-3-1;;/h2-9H,1H3;1-5H;1H;/q-1;;;+2/p-1.
What are the key properties of fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide?
fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide has a molecular weight of 599.88 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide is sourced from PubChem (CID 58174392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).