fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine

C23H20FN3O3PdS — CID 140602416

IUPACfluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine
SMILESCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)cc1.F[Pd+].c1ccncc1
InChIInChI=1S/C18H15N2O3S.C5H5N.FH.Pd/c1-23-14-9-11-15(12-10-14)24(21,22)20-18-8-3-2-6-16(18)17-7-4-5-13-19-17;1-2-4-6-5-3-1;;/h2-13H,1H3;1-5H;1H;/q-1;;;+2/p-1
InChIKeySJLXNTCGJPVQPG-UHFFFAOYSA-M
MW543.92 g/mol
LogP5.65
Rot. Bonds5

About fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine

fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine (PubChem CID 140602416) has the molecular formula C23H20FN3O3PdS and a molecular weight of 543.92 g/mol. Its IUPAC name is fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine.

Molecular Properties

Compound Namefluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine
PubChem CID140602416
Molecular FormulaC23H20FN3O3PdS
Molecular Weight543.92 g/mol
Exact Mass543.02
IUPAC Namefluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine
SMILESCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)cc1.F[Pd+].c1ccncc1
InChIInChI=1S/C18H15N2O3S.C5H5N.FH.Pd/c1-23-14-9-11-15(12-10-14)24(21,22)20-18-8-3-2-6-16(18)17-7-4-5-13-19-17;1-2-4-6-5-3-1;;/h2-13H,1H3;1-5H;1H;/q-1;;;+2/p-1
InChIKeySJLXNTCGJPVQPG-UHFFFAOYSA-M
XLogP5.65
TPSA83.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.92
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine?
The IUPAC name of fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine (CID 140602416) is fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine.
What is the SMILES notation for fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine?
The canonical SMILES for fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine is COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)cc1.F[Pd+].c1ccncc1.
What is the InChIKey of fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine?
The InChIKey is SJLXNTCGJPVQPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15N2O3S.C5H5N.FH.Pd/c1-23-14-9-11-15(12-10-14)24(21,22)20-18-8-3-2-6-16(18)17-7-4-5-13-19-17;1-2-4-6-5-3-1;;/h2-13H,1H3;1-5H;1H;/q-1;;;+2/p-1.
What are the key properties of fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine?
fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine has a molecular weight of 543.92 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoropalladium(1+);(4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine is sourced from PubChem (CID 140602416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).