chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine

C29H23ClN2O2PdS — CID 139242717

IUPACchloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine
SMILESCc1ccc(S(=O)(=O)c2ccccc2-c2ccccn2)cc1.Cl[Pd+].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H15NO2S.C11H8N.ClH.Pd/c1-14-9-11-15(12-10-14)22(20,21)18-8-3-2-6-16(18)17-7-4-5-13-19-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h2-13H,1H3;1-6,8-9H;1H;/q;-1;;+2/p-1
InChIKeyWMFOETFJDPDMQH-UHFFFAOYSA-M
MW605.46 g/mol
LogP7.13
Rot. Bonds4

About chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine

chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine (PubChem CID 139242717) has the molecular formula C29H23ClN2O2PdS and a molecular weight of 605.46 g/mol. Its IUPAC name is chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine.

Molecular Properties

Compound Namechloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine
PubChem CID139242717
Molecular FormulaC29H23ClN2O2PdS
Molecular Weight605.46 g/mol
Exact Mass604.02
IUPAC Namechloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine
SMILESCc1ccc(S(=O)(=O)c2ccccc2-c2ccccn2)cc1.Cl[Pd+].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H15NO2S.C11H8N.ClH.Pd/c1-14-9-11-15(12-10-14)22(20,21)18-8-3-2-6-16(18)17-7-4-5-13-19-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h2-13H,1H3;1-6,8-9H;1H;/q;-1;;+2/p-1
InChIKeyWMFOETFJDPDMQH-UHFFFAOYSA-M
XLogP7.13
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.46
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine
CID 135001779
2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 154630131
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
chlorozinc(1+);2-phenylpyridine
CID 59773311
iridium;tris(2-phenylpyridine)
CID 23386734
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene
CID 162045082
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639

Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine?
The IUPAC name of chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine (CID 139242717) is chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine.
What is the SMILES notation for chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine?
The canonical SMILES for chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine is Cc1ccc(S(=O)(=O)c2ccccc2-c2ccccn2)cc1.Cl[Pd+].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine?
The InChIKey is WMFOETFJDPDMQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15NO2S.C11H8N.ClH.Pd/c1-14-9-11-15(12-10-14)22(20,21)18-8-3-2-6-16(18)17-7-4-5-13-19-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h2-13H,1H3;1-6,8-9H;1H;/q;-1;;+2/p-1.
What are the key properties of chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine?
chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine has a molecular weight of 605.46 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine is sourced from PubChem (CID 139242717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).