bis(benzenesulfonyloxy)-oxophosphanium

C12H10O7PS2+ — CID 87283372

IUPACbis(benzenesulfonyloxy)-oxophosphanium
SMILESO=[P+](OS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H10O7PS2/c13-20(18-21(14,15)11-7-3-1-4-8-11)19-22(16,17)12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyZWMMZSGAZWXCFX-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.45
Rot. Bonds6

About bis(benzenesulfonyloxy)-oxophosphanium

bis(benzenesulfonyloxy)-oxophosphanium (PubChem CID 87283372) has the molecular formula C12H10O7PS2+ and a molecular weight of 361.31 g/mol. Its IUPAC name is bis(benzenesulfonyloxy)-oxophosphanium.

Molecular Properties

Compound Namebis(benzenesulfonyloxy)-oxophosphanium
PubChem CID87283372
Molecular FormulaC12H10O7PS2+
Molecular Weight361.31 g/mol
Exact Mass360.96
IUPAC Namebis(benzenesulfonyloxy)-oxophosphanium
SMILESO=[P+](OS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H10O7PS2/c13-20(18-21(14,15)11-7-3-1-4-8-11)19-22(16,17)12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyZWMMZSGAZWXCFX-UHFFFAOYSA-N
XLogP2.45
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine
CID 175100508
fluoro benzenesulfonate
CID 145272167
amino benzenesulfonate;zinc
CID 175523856
[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
CID 144681395
sodium sulfido benzenesulfonate
CID 58825267
nitroso benzenesulfonate
CID 88672539
[methyl(triphenyl)-λ5-arsanyl] benzenesulfonate
CID 88708524
Hydroxymethyl benzenesulfonate--aluminium (1/1)
CID 57354388
CID 87966251
CID 87966251
[amino(benzenesulfonyloxy)phosphoryl] benzenesulfonate
CID 175594882
CID 172832432
CID 172832432
CID 88835909
CID 88835909

Frequently Asked Questions

What is the IUPAC name of bis(benzenesulfonyloxy)-oxophosphanium?
The IUPAC name of bis(benzenesulfonyloxy)-oxophosphanium (CID 87283372) is bis(benzenesulfonyloxy)-oxophosphanium.
What is the SMILES notation for bis(benzenesulfonyloxy)-oxophosphanium?
The canonical SMILES for bis(benzenesulfonyloxy)-oxophosphanium is O=[P+](OS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1.
What is the InChIKey of bis(benzenesulfonyloxy)-oxophosphanium?
The InChIKey is ZWMMZSGAZWXCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O7PS2/c13-20(18-21(14,15)11-7-3-1-4-8-11)19-22(16,17)12-9-5-2-6-10-12/h1-10H/q+1.
What are the key properties of bis(benzenesulfonyloxy)-oxophosphanium?
bis(benzenesulfonyloxy)-oxophosphanium has a molecular weight of 361.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzenesulfonyloxy)-oxophosphanium is sourced from PubChem (CID 87283372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).