benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine

C25H19N5O6PdS — CID 58174438

IUPACbenzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)c([N+](=O)[O-])c1.[CH3-].[Pd+2].c1ccncc1
InChIInChI=1S/C19H11N4O6S.C5H5N.CH3.Pd/c24-22(25)14-8-9-17(16(11-14)23(26)27)30(28,29)21-15-5-1-3-12-6-7-13-4-2-10-20-19(13)18(12)15;1-2-4-6-5-3-1;;/h1-11H;1-5H;1H3;/q-1;;-1;+2
InChIKeyWEEBNTAXSGYIQS-UHFFFAOYSA-N
MW623.94 g/mol
LogP6.13
Rot. Bonds5

About benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine

benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine (PubChem CID 58174438) has the molecular formula C25H19N5O6PdS and a molecular weight of 623.94 g/mol. Its IUPAC name is benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine.

Molecular Properties

Compound Namebenzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine
PubChem CID58174438
Molecular FormulaC25H19N5O6PdS
Molecular Weight623.94 g/mol
Exact Mass623.01
IUPAC Namebenzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)c([N+](=O)[O-])c1.[CH3-].[Pd+2].c1ccncc1
InChIInChI=1S/C19H11N4O6S.C5H5N.CH3.Pd/c24-22(25)14-8-9-17(16(11-14)23(26)27)30(28,29)21-15-5-1-3-12-6-7-13-4-2-10-20-19(13)18(12)15;1-2-4-6-5-3-1;;/h1-11H;1-5H;1H3;/q-1;;-1;+2
InChIKeyWEEBNTAXSGYIQS-UHFFFAOYSA-N
XLogP6.13
TPSA160.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.94
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide
CID 58174439
acetic acid;bis(benzo[h]quinolin-10-yl-(4-nitrophenyl)sulfonylazanide);chloropalladium(1+);ethanone;oxosilver;palladium;bis(pyridine)
CID 160779007
copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)
CID 139069114
benzo[h]quinolin-10-yl(pyridin-2-ylsulfonyl)azanide;fluoropalladium(1+)
CID 58174325
benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
CID 58174475
benzo[h]quinolin-10-yl-(4-methylphenyl)sulfonylazanide;1-chloro-4-methylbenzene-5-ide;palladium(2+);pyridine
CID 58174428
(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)
CID 58174456
6,8-dinitroquinoline
CID 11106850
fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine
CID 58174390
8-(2,4-dinitrophenoxy)quinoline
CID 1422298
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
2,4-dinitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 71606096

Frequently Asked Questions

What is the IUPAC name of benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine?
The IUPAC name of benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine (CID 58174438) is benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine.
What is the SMILES notation for benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine?
The canonical SMILES for benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine is O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)c([N+](=O)[O-])c1.[CH3-].[Pd+2].c1ccncc1.
What is the InChIKey of benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine?
The InChIKey is WEEBNTAXSGYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N4O6S.C5H5N.CH3.Pd/c24-22(25)14-8-9-17(16(11-14)23(26)27)30(28,29)21-15-5-1-3-12-6-7-13-4-2-10-20-19(13)18(12)15;1-2-4-6-5-3-1;;/h1-11H;1-5H;1H3;/q-1;;-1;+2.
What are the key properties of benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine?
benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine has a molecular weight of 623.94 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine is sourced from PubChem (CID 58174438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).