acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine)

C48H44FN6O8Pd2S2- — CID 160594687

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

acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine) (PubChem CID 160594687) has the molecular formula C48H44FN6O8Pd2S2- and a molecular weight of 1128.89 g/mol. Its IUPAC name is acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine).

Molecular Properties

• Compound Name: acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine)
• PubChem CID: 160594687
• Molecular Formula: C48H44FN6O8Pd2S2-
• Molecular Weight: 1128.89 g/mol
• Exact Mass: 1127.07
• IUPAC Name: acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine)
• SMILES: CC(=O)O.COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)cc1.COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)cc1.F[Pd+].[Pd].c1ccncc1.c1ccncc1
• InChI: InChI=1S/2C18H15N2O3S.2C5H5N.C2H4O2.FH.2Pd/c2*1-23-14-9-11-15(12-10-14)24(21,22)20-18-8-3-2-6-16(18)17-7-4-5-13-19-17;2*1-2-4-6-5-3-1;1-2(3)4;;;/h2*2-13H,1H3;2*1-5H;1H3,(H,3,4);1H;;/q2*-1;;;;;;+2/p-1
• InChIKey: IOWSWYASBNCOIR-UHFFFAOYSA-M
• XLogP: 10.97
• TPSA: 203.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1128.89
LogP ≤ 5	10.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine)?

The IUPAC name of acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine) (CID 160594687) is acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine).

What is the SMILES notation for acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine)?

The canonical SMILES for acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine) is CC(=O)O.COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)cc1.COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)cc1.F[Pd+].[Pd].c1ccncc1.c1ccncc1.

What is the InChIKey of acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine)?

The InChIKey is IOWSWYASBNCOIR-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H15N2O3S.2C5H5N.C2H4O2.FH.2Pd/c2*1-23-14-9-11-15(12-10-14)24(21,22)20-18-8-3-2-6-16(18)17-7-4-5-13-19-17;2*1-2-4-6-5-3-1;1-2(3)4;;;/h2*2-13H,1H3;2*1-5H;1H3,(H,3,4);1H;;/q2*-1;;;;;;+2/p-1.

What are the key properties of acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine)?

acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine) has a molecular weight of 1128.89 g/mol, XLogP of 10.97, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;fluoropalladium(1+);bis((4-methoxyphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide);palladium;bis(pyridine) is sourced from PubChem (CID 160594687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).