(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)

C27H22N5O4PdS- — CID 58174456

IUPAC(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccccn1.[Pd].c1ccncc1.c1ccncc1
InChIInChI=1S/C17H12N3O4S.2C5H5N.Pd/c21-20(22)16-10-3-4-11-17(16)25(23,24)19-15-9-2-1-7-13(15)14-8-5-6-12-18-14;2*1-2-4-6-5-3-1;/h1-12H;2*1-5H;/q-1;;;
InChIKeyIOXQCUXFHVDQPE-UHFFFAOYSA-N
MW618.99 g/mol
LogP6.21
Rot. Bonds5

About (2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)

(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine) (PubChem CID 58174456) has the molecular formula C27H22N5O4PdS- and a molecular weight of 618.99 g/mol. Its IUPAC name is (2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine).

Molecular Properties

Compound Name(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)
PubChem CID58174456
Molecular FormulaC27H22N5O4PdS-
Molecular Weight618.99 g/mol
Exact Mass618.04
IUPAC Name(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccccn1.[Pd].c1ccncc1.c1ccncc1
InChIInChI=1S/C17H12N3O4S.2C5H5N.Pd/c21-20(22)16-10-3-4-11-17(16)25(23,24)19-15-9-2-1-7-13(15)14-8-5-6-12-18-14;2*1-2-4-6-5-3-1;/h1-12H;2*1-5H;/q-1;;;
InChIKeyIOXQCUXFHVDQPE-UHFFFAOYSA-N
XLogP6.21
TPSA130.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.99
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine
CID 58174390
benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
CID 58174475
fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide
CID 58174392
methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc
CID 59680568
2-(3-nitro-2-pyridinyl)-3-pyridin-2-ylpyridine
CID 162355373
4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride
CID 44540787
1-nitro-2-phenylbenzene;pyridine
CID 174774599
benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine
CID 58174438
(4-methylphenyl)-(2-nitrophenyl)sulfonylazanide
CID 4740162
benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
CID 58174467
1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 701155
dimethylsulfonio-(2-nitrophenyl)sulfonylazanide
CID 177427762

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)?
The IUPAC name of (2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine) (CID 58174456) is (2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine).
What is the SMILES notation for (2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)?
The canonical SMILES for (2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine) is O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccccn1.[Pd].c1ccncc1.c1ccncc1.
What is the InChIKey of (2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)?
The InChIKey is IOXQCUXFHVDQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N3O4S.2C5H5N.Pd/c21-20(22)16-10-3-4-11-17(16)25(23,24)19-15-9-2-1-7-13(15)14-8-5-6-12-18-14;2*1-2-4-6-5-3-1;/h1-12H;2*1-5H;/q-1;;;.
What are the key properties of (2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)?
(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine) has a molecular weight of 618.99 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine) is sourced from PubChem (CID 58174456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).