benzenesulfonylsulfonyloxybenzene

C12H10O5S2 — CID 22044491

IUPACbenzenesulfonylsulfonyloxybenzene
SMILESO=S(=O)(Oc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H10O5S2/c13-18(14,12-9-5-2-6-10-12)19(15,16)17-11-7-3-1-4-8-11/h1-10H
InChIKeySQHPLSLOAGKYAU-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.78
Rot. Bonds4

About benzenesulfonylsulfonyloxybenzene

benzenesulfonylsulfonyloxybenzene (PubChem CID 22044491) has the molecular formula C12H10O5S2 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzenesulfonylsulfonyloxybenzene.

Molecular Properties

Compound Namebenzenesulfonylsulfonyloxybenzene
PubChem CID22044491
Molecular FormulaC12H10O5S2
Molecular Weight298.34 g/mol
Exact Mass298.00
IUPAC Namebenzenesulfonylsulfonyloxybenzene
SMILESO=S(=O)(Oc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H10O5S2/c13-18(14,12-9-5-2-6-10-12)19(15,16)17-11-7-3-1-4-8-11/h1-10H
InChIKeySQHPLSLOAGKYAU-UHFFFAOYSA-N
XLogP1.78
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonylsulfonyloxybenzene?
The IUPAC name of benzenesulfonylsulfonyloxybenzene (CID 22044491) is benzenesulfonylsulfonyloxybenzene.
What is the SMILES notation for benzenesulfonylsulfonyloxybenzene?
The canonical SMILES for benzenesulfonylsulfonyloxybenzene is O=S(=O)(Oc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonylsulfonyloxybenzene?
The InChIKey is SQHPLSLOAGKYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5S2/c13-18(14,12-9-5-2-6-10-12)19(15,16)17-11-7-3-1-4-8-11/h1-10H.
What are the key properties of benzenesulfonylsulfonyloxybenzene?
benzenesulfonylsulfonyloxybenzene has a molecular weight of 298.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonylsulfonyloxybenzene is sourced from PubChem (CID 22044491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).