benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine

C32H26ClN3O2PdS — CID 58174428

IUPACbenzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine
SMILESCc1[c-]cc(Cl)cc1.Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)cc1.[Pd+2].c1ccncc1
InChIInChI=1S/C20H15N2O2S.C7H6Cl.C5H5N.Pd/c1-14-7-11-17(12-8-14)25(23,24)22-18-6-2-4-15-9-10-16-5-3-13-21-20(16)19(15)18;1-6-2-4-7(8)5-3-6;1-2-4-6-5-3-1;/h2-13H,1H3;2,4-5H,1H3;1-5H;/q2*-1;;+2
InChIKeyQDOKOPDFVUGBLP-UHFFFAOYSA-N
MW658.52 g/mol
LogP8.62
Rot. Bonds3

About benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine

benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine (PubChem CID 58174428) has the molecular formula C32H26ClN3O2PdS and a molecular weight of 658.52 g/mol. Its IUPAC name is benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine.

Molecular Properties

Compound Namebenzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine
PubChem CID58174428
Molecular FormulaC32H26ClN3O2PdS
Molecular Weight658.52 g/mol
Exact Mass657.05
IUPAC Namebenzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine
SMILESCc1[c-]cc(Cl)cc1.Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)cc1.[Pd+2].c1ccncc1
InChIInChI=1S/C20H15N2O2S.C7H6Cl.C5H5N.Pd/c1-14-7-11-17(12-8-14)25(23,24)22-18-6-2-4-15-9-10-16-5-3-13-21-20(16)19(15)18;1-6-2-4-7(8)5-3-6;1-2-4-6-5-3-1;/h2-13H,1H3;2,4-5H,1H3;1-5H;/q2*-1;;+2
InChIKeyQDOKOPDFVUGBLP-UHFFFAOYSA-N
XLogP8.62
TPSA74.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.52
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)
CID 160779007
benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine
CID 58174438
acetic acid;bis(benzo[h]quinolin-10-yl-(4-methoxyphenyl)sulfonylazanide);bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine);sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158005642
benzo[h]quinolin-10-yl(pyridin-2-ylsulfonyl)azanide;fluoropalladium(1+)
CID 58174325
copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)
CID 139069114
carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium
CID 138966805
gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine
CID 54679765
methylsulfonyl(quinolin-8-yl)azanide
CID 25244687
sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene
CID 88780829
naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc
CID 22974317
zinc bis((4-methylphenyl)sulfanyl-quinolin-8-ylazanide)
CID 142099188

Frequently Asked Questions

What is the IUPAC name of benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine?
The IUPAC name of benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine (CID 58174428) is benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine.
What is the SMILES notation for benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine?
The canonical SMILES for benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine is Cc1[c-]cc(Cl)cc1.Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)cc1.[Pd+2].c1ccncc1.
What is the InChIKey of benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine?
The InChIKey is QDOKOPDFVUGBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N2O2S.C7H6Cl.C5H5N.Pd/c1-14-7-11-17(12-8-14)25(23,24)22-18-6-2-4-15-9-10-16-5-3-13-21-20(16)19(15)18;1-6-2-4-7(8)5-3-6;1-2-4-6-5-3-1;/h2-13H,1H3;2,4-5H,1H3;1-5H;/q2*-1;;+2.
What are the key properties of benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine?
benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine has a molecular weight of 658.52 g/mol, XLogP of 8.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine is sourced from PubChem (CID 58174428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).