fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine

C22H17FN4O4PdS — CID 58174390

IUPACfluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine
SMILESF[Pd+].O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccccn1.c1ccncc1
InChIInChI=1S/C17H12N3O4S.C5H5N.FH.Pd/c21-20(22)16-10-3-4-11-17(16)25(23,24)19-15-9-2-1-7-13(15)14-8-5-6-12-18-14;1-2-4-6-5-3-1;;/h1-12H;1-5H;1H;/q-1;;;+2/p-1
InChIKeyFLSHUTWPXZRDLU-UHFFFAOYSA-M
MW558.89 g/mol
LogP5.55
Rot. Bonds5

About fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine

fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine (PubChem CID 58174390) has the molecular formula C22H17FN4O4PdS and a molecular weight of 558.89 g/mol. Its IUPAC name is fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine.

Molecular Properties

Compound Namefluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine
PubChem CID58174390
Molecular FormulaC22H17FN4O4PdS
Molecular Weight558.89 g/mol
Exact Mass558.00
IUPAC Namefluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine
SMILESF[Pd+].O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccccn1.c1ccncc1
InChIInChI=1S/C17H12N3O4S.C5H5N.FH.Pd/c21-20(22)16-10-3-4-11-17(16)25(23,24)19-15-9-2-1-7-13(15)14-8-5-6-12-18-14;1-2-4-6-5-3-1;;/h1-12H;1-5H;1H;/q-1;;;+2/p-1
InChIKeyFLSHUTWPXZRDLU-UHFFFAOYSA-M
XLogP5.55
TPSA117.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.89
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(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
fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide
CID 58174392
methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc
CID 59680568
2-(3-nitro-2-pyridinyl)-3-pyridin-2-ylpyridine
CID 162355373
1-nitro-2-phenylbenzene;pyridine
CID 174774599
benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine
CID 58174438
4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride
CID 44540787
(4-methylphenyl)-(2-nitrophenyl)sulfonylazanide
CID 4740162
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
benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
CID 58174467
dimethylsulfonio-(2-nitrophenyl)sulfonylazanide
CID 177427762

Frequently Asked Questions

What is the IUPAC name of fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine?
The IUPAC name of fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine (CID 58174390) is fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine.
What is the SMILES notation for fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine?
The canonical SMILES for fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine is F[Pd+].O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccccn1.c1ccncc1.
What is the InChIKey of fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine?
The InChIKey is FLSHUTWPXZRDLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H12N3O4S.C5H5N.FH.Pd/c21-20(22)16-10-3-4-11-17(16)25(23,24)19-15-9-2-1-7-13(15)14-8-5-6-12-18-14;1-2-4-6-5-3-1;;/h1-12H;1-5H;1H;/q-1;;;+2/p-1.
What are the key properties of fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine?
fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine has a molecular weight of 558.89 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine is sourced from PubChem (CID 58174390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).