benzenesulfonylbenzene

C24H20O4S2 — CID 70981865

IUPACbenzenesulfonylbenzene
SMILESO=S(=O)(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H10O2S/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2*1-10H
InChIKeyOWRHOGANNJOKHG-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.04
Rot. Bonds4

About benzenesulfonylbenzene

benzenesulfonylbenzene (PubChem CID 70981865) has the molecular formula C24H20O4S2 and a molecular weight of 436.55 g/mol. Its IUPAC name is benzenesulfonylbenzene.

Molecular Properties

Compound Namebenzenesulfonylbenzene
PubChem CID70981865
Molecular FormulaC24H20O4S2
Molecular Weight436.55 g/mol
Exact Mass436.08
IUPAC Namebenzenesulfonylbenzene
SMILESO=S(=O)(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H10O2S/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2*1-10H
InChIKeyOWRHOGANNJOKHG-UHFFFAOYSA-N
XLogP5.04
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonylbenzene?
The IUPAC name of benzenesulfonylbenzene (CID 70981865) is benzenesulfonylbenzene.
What is the SMILES notation for benzenesulfonylbenzene?
The canonical SMILES for benzenesulfonylbenzene is O=S(=O)(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzenesulfonylbenzene?
The InChIKey is OWRHOGANNJOKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10O2S/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2*1-10H.
What are the key properties of benzenesulfonylbenzene?
benzenesulfonylbenzene has a molecular weight of 436.55 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonylbenzene is sourced from PubChem (CID 70981865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).