4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride

C22H19FN4O4PdS — CID 44540787

IUPAC4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride
SMILESF.O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccn2)cc1.[Pd].c1ccncc1
InChIInChI=1S/C17H13N3O4S.C5H5N.FH.Pd/c21-20(22)13-8-10-14(11-9-13)25(23,24)19-17-7-2-1-5-15(17)16-6-3-4-12-18-16;1-2-4-6-5-3-1;;/h1-12,19H;1-5H;1H;
InChIKeyYYHVEOFOIFLTJL-UHFFFAOYSA-N
MW560.90 g/mol
LogP4.69
Rot. Bonds5

About 4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride

4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride (PubChem CID 44540787) has the molecular formula C22H19FN4O4PdS and a molecular weight of 560.90 g/mol. Its IUPAC name is 4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride.

Molecular Properties

Compound Name4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride
PubChem CID44540787
Molecular FormulaC22H19FN4O4PdS
Molecular Weight560.90 g/mol
Exact Mass560.01
IUPAC Name4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride
SMILESF.O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccn2)cc1.[Pd].c1ccncc1
InChIInChI=1S/C17H13N3O4S.C5H5N.FH.Pd/c21-20(22)13-8-10-14(11-9-13)25(23,24)19-17-7-2-1-5-15(17)16-6-3-4-12-18-16;1-2-4-6-5-3-1;;/h1-12,19H;1-5H;1H;
InChIKeyYYHVEOFOIFLTJL-UHFFFAOYSA-N
XLogP4.69
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.90
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride
CID 44540975
acetic acid;N-(5-tert-butyl-2-pyridin-2-ylphenyl)-4-nitrobenzenesulfonamide;palladium;pyridine
CID 44540791
N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide
CID 75524313
4-(4-nitrophenoxy)-N-pyridin-2-ylbenzenesulfonamide
CID 1378990
2-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 68782623
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
N-methyl-4-nitro-2-pyridin-2-ylaniline
CID 58174468
(2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium;bis(pyridine)
CID 58174456
4-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 127501672
N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine
CID 72736085
4-methyl-N-[2-[4-(4-nitrophenyl)quinazolin-2-yl]phenyl]benzenesulfonamide
CID 122211920

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride?
The IUPAC name of 4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride (CID 44540787) is 4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride.
What is the SMILES notation for 4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride?
The canonical SMILES for 4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride is F.O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccn2)cc1.[Pd].c1ccncc1.
What is the InChIKey of 4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride?
The InChIKey is YYHVEOFOIFLTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S.C5H5N.FH.Pd/c21-20(22)13-8-10-14(11-9-13)25(23,24)19-17-7-2-1-5-15(17)16-6-3-4-12-18-16;1-2-4-6-5-3-1;;/h1-12,19H;1-5H;1H;.
What are the key properties of 4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride?
4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride has a molecular weight of 560.90 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride is sourced from PubChem (CID 44540787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).