acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine

C26H26N3O5PdS- — CID 58174394

IUPACacetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine
SMILESCC(=O)O.COc1ccc(-c2ccccn2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1.[Pd].c1ccncc1
InChIInChI=1S/C19H17N2O3S.C5H5N.C2H4O2.Pd/c1-14-6-9-16(10-7-14)25(22,23)21-19-13-15(24-2)8-11-17(19)18-5-3-4-12-20-18;1-2-4-6-5-3-1;1-2(3)4;/h3-13H,1-2H3;1-5H;1H3,(H,3,4);/q-1;;;
InChIKeyPDIKFESYRGVOFH-UHFFFAOYSA-N
MW599.00 g/mol
LogP5.63
Rot. Bonds5

About acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine

acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine (PubChem CID 58174394) has the molecular formula C26H26N3O5PdS- and a molecular weight of 599.00 g/mol. Its IUPAC name is acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine.

Molecular Properties

Compound Nameacetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine
PubChem CID58174394
Molecular FormulaC26H26N3O5PdS-
Molecular Weight599.00 g/mol
Exact Mass598.06
IUPAC Nameacetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine
SMILESCC(=O)O.COc1ccc(-c2ccccn2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1.[Pd].c1ccncc1
InChIInChI=1S/C19H17N2O3S.C5H5N.C2H4O2.Pd/c1-14-6-9-16(10-7-14)25(22,23)21-19-13-15(24-2)8-11-17(19)18-5-3-4-12-20-18;1-2-4-6-5-3-1;1-2(3)4;/h3-13H,1-2H3;1-5H;1H3,(H,3,4);/q-1;;;
InChIKeyPDIKFESYRGVOFH-UHFFFAOYSA-N
XLogP5.63
TPSA120.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.00
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-{[4-(3-Methoxyphenyl)piperazin-1-yl]sulfonyl}quinoline
CID 16194073
3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide
CID 168873929
3,5-difluoro-4-[(9-fluoro-8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide
CID 168873979
6-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yloxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4825807
4-[[(6-Fluoro-7-methoxyquinolin-4-yl)amino]methyl]benzenesulfonamide
CID 137527869
4-[[(6-Fluoro-7-methoxyquinolin-4-yl)amino]methyl]benzenesulfinamide
CID 142539718
[1-(4-Fluorophenyl)sulfonylpiperidin-3-yl]-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone
CID 156367275
Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide;bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)
CID 158222638
Acetic acid;tris(fluoropalladium(1+));[5-methoxy-3-methyl-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;[5-methoxy-2-(5-methyl-2-pyridinyl)phenyl]-(4-methylphenyl)sulfonylazanide;(4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide;(4-methylphenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)
CID 158619935
Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tris(palladium);hexakis(pyridine)
CID 160586582
Acetic acid;bis(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);bis((4-methylphenyl)sulfonyl-(4-methyl-2-pyridin-2-ylphenyl)azanide);(4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide;tris(palladium);pentakis(pyridine)
CID 160890198
Acetic acid;tris(fluoropalladium(1+));bis((5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide);(4-methylphenyl)sulfonyl-[2-(5-methyl-2-pyridinyl)phenyl]azanide;bis((4-methylphenyl)sulfonyl-(3-methyl-2-pyridin-2-ylphenyl)azanide);bis((4-methylphenyl)sulfonyl-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]azanide);tetrakis(palladium);heptakis(pyridine)
CID 161413476

Frequently Asked Questions

What is the IUPAC name of acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine?
The IUPAC name of acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine (CID 58174394) is acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine.
What is the SMILES notation for acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine?
The canonical SMILES for acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine is CC(=O)O.COc1ccc(-c2ccccn2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1.[Pd].c1ccncc1.
What is the InChIKey of acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine?
The InChIKey is PDIKFESYRGVOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2O3S.C5H5N.C2H4O2.Pd/c1-14-6-9-16(10-7-14)25(22,23)21-19-13-15(24-2)8-11-17(19)18-5-3-4-12-20-18;1-2-4-6-5-3-1;1-2(3)4;/h3-13H,1-2H3;1-5H;1H3,(H,3,4);/q-1;;;.
What are the key properties of acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine?
acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine has a molecular weight of 599.00 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(5-methoxy-2-pyridin-2-ylphenyl)-(4-methylphenyl)sulfonylazanide;palladium;pyridine is sourced from PubChem (CID 58174394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).