benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine

C29H24N4O4PdS — CID 58174475

IUPACbenzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
SMILESCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)c([N+](=O)[O-])c1.[Pd+2].[c-]1ccccc1.c1ccncc1
InChIInChI=1S/C18H14N3O4S.C6H5.C5H5N.Pd/c1-13-9-10-18(17(12-13)21(22)23)26(24,25)20-16-8-3-2-6-14(16)15-7-4-5-11-19-15;2*1-2-4-6-5-3-1;/h2-12H,1H3;2*1-5H;/q2*-1;;+2
InChIKeyYXMUSKGKNGNPKV-UHFFFAOYSA-N
MW631.02 g/mol
LogP6.93
Rot. Bonds5

About benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine

benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine (PubChem CID 58174475) has the molecular formula C29H24N4O4PdS and a molecular weight of 631.02 g/mol. Its IUPAC name is benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine.

Molecular Properties

Compound Namebenzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
PubChem CID58174475
Molecular FormulaC29H24N4O4PdS
Molecular Weight631.02 g/mol
Exact Mass630.06
IUPAC Namebenzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
SMILESCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)c([N+](=O)[O-])c1.[Pd+2].[c-]1ccccc1.c1ccncc1
InChIInChI=1S/C18H14N3O4S.C6H5.C5H5N.Pd/c1-13-9-10-18(17(12-13)21(22)23)26(24,25)20-16-8-3-2-6-14(16)15-7-4-5-11-19-15;2*1-2-4-6-5-3-1;/h2-12H,1H3;2*1-5H;/q2*-1;;+2
InChIKeyYXMUSKGKNGNPKV-UHFFFAOYSA-N
XLogP6.93
TPSA117.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.02
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)
CID 58174456
fluoropalladium(1+);(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;pyridine
CID 58174390
benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
CID 58174467
benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine
CID 58174438
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
benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine
CID 58352556
2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine
CID 135001779
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
4-methyl-N-[2-[(4-methyl-2-nitrophenyl)sulfonylamino]phenyl]-2-nitrobenzenesulfonamide
CID 100971716
N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride
CID 44540975
4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine
CID 139713242

Frequently Asked Questions

What is the IUPAC name of benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine?
The IUPAC name of benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine (CID 58174475) is benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine.
What is the SMILES notation for benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine?
The canonical SMILES for benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine is Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)c([N+](=O)[O-])c1.[Pd+2].[c-]1ccccc1.c1ccncc1.
What is the InChIKey of benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine?
The InChIKey is YXMUSKGKNGNPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N3O4S.C6H5.C5H5N.Pd/c1-13-9-10-18(17(12-13)21(22)23)26(24,25)20-16-8-3-2-6-14(16)15-7-4-5-11-19-15;2*1-2-4-6-5-3-1;/h2-12H,1H3;2*1-5H;/q2*-1;;+2.
What are the key properties of benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine?
benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine has a molecular weight of 631.02 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine is sourced from PubChem (CID 58174475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).