iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium

C14H16FeNO3PdS- — CID 175921452

IUPACiron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium
SMILESCS(=O)(=O)O.C[N-]c1ccccc1-c1ccccc1.[Fe].[Pd]
InChIInChI=1S/C13H12N.CH4O3S.Fe.Pd/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;;/h2-10H,1H3;1H3,(H,2,3,4);;/q-1;;;
InChIKeyOXBBRNDWNJRENH-UHFFFAOYSA-N
MW440.62 g/mol
LogP3.49
Rot. Bonds2

About iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium

iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium (PubChem CID 175921452) has the molecular formula C14H16FeNO3PdS- and a molecular weight of 440.62 g/mol. Its IUPAC name is iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium.

Molecular Properties

Compound Nameiron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium
PubChem CID175921452
Molecular FormulaC14H16FeNO3PdS-
Molecular Weight440.62 g/mol
Exact Mass439.92
IUPAC Nameiron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium
SMILESCS(=O)(=O)O.C[N-]c1ccccc1-c1ccccc1.[Fe].[Pd]
InChIInChI=1S/C13H12N.CH4O3S.Fe.Pd/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;;/h2-10H,1H3;1H3,(H,2,3,4);;/q-1;;;
InChIKeyOXBBRNDWNJRENH-UHFFFAOYSA-N
XLogP3.49
TPSA68.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium?
The IUPAC name of iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium (CID 175921452) is iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium.
What is the SMILES notation for iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium?
The canonical SMILES for iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium is CS(=O)(=O)O.C[N-]c1ccccc1-c1ccccc1.[Fe].[Pd].
What is the InChIKey of iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium?
The InChIKey is OXBBRNDWNJRENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N.CH4O3S.Fe.Pd/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;;/h2-10H,1H3;1H3,(H,2,3,4);;/q-1;;;.
What are the key properties of iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium?
iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium has a molecular weight of 440.62 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium is sourced from PubChem (CID 175921452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).