[benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium

C15H13O5S+ — CID 138976730

IUPAC[benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium
SMILESCS(=O)(=O)/[O+]=C(\OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13O5S/c1-21(17,18)20-15(13-10-6-3-7-11-13)19-14(16)12-8-4-2-5-9-12/h2-11H,1H3/q+1
InChIKeyJINNUPDPMADMKP-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.18
Rot. Bonds3

About [benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium

[benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium (PubChem CID 138976730) has the molecular formula C15H13O5S+ and a molecular weight of 305.33 g/mol. Its IUPAC name is [benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium.

Molecular Properties

Compound Name[benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium
PubChem CID138976730
Molecular FormulaC15H13O5S+
Molecular Weight305.33 g/mol
Exact Mass305.05
IUPAC Name[benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium
SMILESCS(=O)(=O)/[O+]=C(\OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13O5S/c1-21(17,18)20-15(13-10-6-3-7-11-13)19-14(16)12-8-4-2-5-9-12/h2-11H,1H3/q+1
InChIKeyJINNUPDPMADMKP-UHFFFAOYSA-N
XLogP2.18
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze [benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium 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

benzoyl benzoate;methylperoxymethane
CID 88758305
CID 162308474
CID 162308474
iron;2-oxopropanoyl benzoate
CID 174449626
benzoyl benzoate;2-methylprop-2-enoic acid
CID 87155251
benzoyl benzoate;benzoyl chloride
CID 157050310
benzoyl benzoate;N,N-dimethylethanamine
CID 174532013
(2-hydroxy-4-oxopent-2-en-3-yl) benzoate
CID 70385266
3-oxobut-1-en-2-yl benzoate
CID 12671077
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
oxaldehydoyl benzoate
CID 54378501
benzoyloxycarbonylperoxyperoxycarbonyl benzoate
CID 54252769

Frequently Asked Questions

What is the IUPAC name of [benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium?
The IUPAC name of [benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium (CID 138976730) is [benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium.
What is the SMILES notation for [benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium?
The canonical SMILES for [benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium is CS(=O)(=O)/[O+]=C(\OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium?
The InChIKey is JINNUPDPMADMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O5S/c1-21(17,18)20-15(13-10-6-3-7-11-13)19-14(16)12-8-4-2-5-9-12/h2-11H,1H3/q+1.
What are the key properties of [benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium?
[benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium has a molecular weight of 305.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyloxy(phenyl)methylidene]-methylsulfonyloxidanium is sourced from PubChem (CID 138976730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).