[anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+)

C15H16N3O2PdS+3 — CID 135538790

IUPAC[anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+)
SMILES[H]/[S+]=C(/[N-]N=Cc1cccc(OC)c1[OH2+])Nc1ccccc1.[Pd+2]
InChIInChI=1S/C15H15N3O2S.Pd/c1-20-13-9-5-6-11(14(13)19)10-16-18-15(21)17-12-7-3-2-4-8-12;/h2-10H,1H3,(H3,16,17,18,19,21);/q;+2/p+1
InChIKeyRLXQJLSWAICIRP-UHFFFAOYSA-O
MW408.80 g/mol
LogP2.32
Rot. Bonds4

About [anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+)

[anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+) (PubChem CID 135538790) has the molecular formula C15H16N3O2PdS+3 and a molecular weight of 408.80 g/mol. Its IUPAC name is [anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+).

Molecular Properties

Compound Name[anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+)
PubChem CID135538790
Molecular FormulaC15H16N3O2PdS+3
Molecular Weight408.80 g/mol
Exact Mass408.00
IUPAC Name[anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+)
SMILES[H]/[S+]=C(/[N-]N=Cc1cccc(OC)c1[OH2+])Nc1ccccc1.[Pd+2]
InChIInChI=1S/C15H15N3O2S.Pd/c1-20-13-9-5-6-11(14(13)19)10-16-18-15(21)17-12-7-3-2-4-8-12;/h2-10H,1H3,(H3,16,17,18,19,21);/q;+2/p+1
InChIKeyRLXQJLSWAICIRP-UHFFFAOYSA-O
XLogP2.32
TPSA70.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

copper bis([(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylideneamino]-[(3-methylanilino)-sulfoniumylidenemethyl]azanide)
CID 135479008
copper [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide
CID 3837398
zinc [amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide
CID 3253666
[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
CID 50911188
[amino(oxoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;nickel(2+);1,10-phenanthroline;hydroxide
CID 3482345
[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)
CID 50910386
copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine
CID 50910692
copper;2-[[2-[(3-methoxy-2-oxoniophenyl)methylidene]hydrazinyl]-oxoniumylidenemethyl]phenolate;hydroxide
CID 3876946
manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium
CID 50910170
N-(4-anilinophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943129
2-[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 6229388
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279

Frequently Asked Questions

What is the IUPAC name of [anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+)?
The IUPAC name of [anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+) (CID 135538790) is [anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+).
What is the SMILES notation for [anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+)?
The canonical SMILES for [anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+) is [H]/[S+]=C(/[N-]N=Cc1cccc(OC)c1[OH2+])Nc1ccccc1.[Pd+2].
What is the InChIKey of [anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+)?
The InChIKey is RLXQJLSWAICIRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N3O2S.Pd/c1-20-13-9-5-6-11(14(13)19)10-16-18-15(21)17-12-7-3-2-4-8-12;/h2-10H,1H3,(H3,16,17,18,19,21);/q;+2/p+1.
What are the key properties of [anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+)?
[anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+) has a molecular weight of 408.80 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [anilino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide;palladium(2+) is sourced from PubChem (CID 135538790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).