ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium

C11H16N2O5PS+ — CID 58914660

IUPACethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium
SMILESCCOO[P+](=O)C/C=N/NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O5PS/c1-3-17-18-19(14)9-8-12-13-20(15,16)11-6-4-10(2)5-7-11/h4-8,13H,3,9H2,1-2H3/q+1/b12-8+
InChIKeyMGUPARMELKUGCE-XYOKQWHBSA-N
MW319.30 g/mol
LogP1.97
Rot. Bonds8

About ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium

ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium (PubChem CID 58914660) has the molecular formula C11H16N2O5PS+ and a molecular weight of 319.30 g/mol. Its IUPAC name is ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium.

Molecular Properties

Compound Nameethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium
PubChem CID58914660
Molecular FormulaC11H16N2O5PS+
Molecular Weight319.30 g/mol
Exact Mass319.05
IUPAC Nameethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium
SMILESCCOO[P+](=O)C/C=N/NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O5PS/c1-3-17-18-19(14)9-8-12-13-20(15,16)11-6-4-10(2)5-7-11/h4-8,13H,3,9H2,1-2H3/q+1/b12-8+
InChIKeyMGUPARMELKUGCE-XYOKQWHBSA-N
XLogP1.97
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide
CID 11760221
4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
CID 101106192
[(4-methylphenyl)sulfonylhydrazinylidene]methanesulfinic acid
CID 162411258
N-[(Z)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135891670
ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate
CID 92527840
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide
CID 170633196
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 3991034
4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide
CID 2825089
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730
bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide
CID 123614271
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407

Frequently Asked Questions

What is the IUPAC name of ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium?
The IUPAC name of ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium (CID 58914660) is ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium.
What is the SMILES notation for ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium?
The canonical SMILES for ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium is CCOO[P+](=O)C/C=N/NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium?
The InChIKey is MGUPARMELKUGCE-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H16N2O5PS/c1-3-17-18-19(14)9-8-12-13-20(15,16)11-6-4-10(2)5-7-11/h4-8,13H,3,9H2,1-2H3/q+1/b12-8+.
What are the key properties of ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium?
ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium has a molecular weight of 319.30 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium is sourced from PubChem (CID 58914660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).