methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc

C12H11N2O2SZn- — CID 59680568

IUPACmethylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc
SMILESCS(=O)(=O)[N-]c1ccccc1-c1ccccn1.[Zn]
InChIInChI=1S/C12H11N2O2S.Zn/c1-17(15,16)14-12-8-3-2-6-10(12)11-7-4-5-9-13-11;/h2-9H,1H3;/q-1;
InChIKeyBHOOMAXVPQRLCG-UHFFFAOYSA-N
MW312.69 g/mol
LogP2.71
Rot. Bonds3

About methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc

methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc (PubChem CID 59680568) has the molecular formula C12H11N2O2SZn- and a molecular weight of 312.69 g/mol. Its IUPAC name is methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc.

Molecular Properties

Compound Namemethylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc
PubChem CID59680568
Molecular FormulaC12H11N2O2SZn-
Molecular Weight312.69 g/mol
Exact Mass310.98
IUPAC Namemethylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc
SMILESCS(=O)(=O)[N-]c1ccccc1-c1ccccn1.[Zn]
InChIInChI=1S/C12H11N2O2S.Zn/c1-17(15,16)14-12-8-3-2-6-10(12)11-7-4-5-9-13-11;/h2-9H,1H3;/q-1;
InChIKeyBHOOMAXVPQRLCG-UHFFFAOYSA-N
XLogP2.71
TPSA61.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.69
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

fluoropalladium(1+);pyridine;(2-pyridin-2-ylphenyl)-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazanide
CID 58174392
(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
2-(2-methylphenyl)pyridine
CID 144596153
2-pyridin-2-ylbenzenethiolate;zinc
CID 59680551
bis(dimethylazanide);bis(2-pyridin-2-ylphenol);titanium(2+)
CID 135489220
zinc;2,3-dipyridin-2-ylpyridine;sulfate
CID 175077808
benzene;(4-methyl-2-nitrophenyl)sulfonyl-(2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
CID 58174475
2-(2-benzylsulfonylphenyl)pyridine
CID 102281426
2-pyridin-2-ylphenol;hydrate
CID 175244966
2-[2-[2-(2-pyridin-2-ylphenyl)ethenyl]phenyl]pyridine
CID 154584408
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406

Frequently Asked Questions

What is the IUPAC name of methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc?
The IUPAC name of methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc (CID 59680568) is methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc.
What is the SMILES notation for methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc?
The canonical SMILES for methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc is CS(=O)(=O)[N-]c1ccccc1-c1ccccn1.[Zn].
What is the InChIKey of methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc?
The InChIKey is BHOOMAXVPQRLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2O2S.Zn/c1-17(15,16)14-12-8-3-2-6-10(12)11-7-4-5-9-13-11;/h2-9H,1H3;/q-1;.
What are the key properties of methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc?
methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc has a molecular weight of 312.69 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyl-(2-pyridin-2-ylphenyl)azanide;zinc is sourced from PubChem (CID 59680568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).