ethenylsulfonylmethylsulfonylbenzene

C9H10O4S2 — CID 23271245

IUPACethenylsulfonylmethylsulfonylbenzene
SMILESC=CS(=O)(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10O4S2/c1-2-14(10,11)8-15(12,13)9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyVUOBNYBDYSEGJL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.98
Rot. Bonds4

About ethenylsulfonylmethylsulfonylbenzene

ethenylsulfonylmethylsulfonylbenzene (PubChem CID 23271245) has the molecular formula C9H10O4S2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethenylsulfonylmethylsulfonylbenzene.

Molecular Properties

Compound Nameethenylsulfonylmethylsulfonylbenzene
PubChem CID23271245
Molecular FormulaC9H10O4S2
Molecular Weight246.31 g/mol
Exact Mass246.00
IUPAC Nameethenylsulfonylmethylsulfonylbenzene
SMILESC=CS(=O)(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10O4S2/c1-2-14(10,11)8-15(12,13)9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyVUOBNYBDYSEGJL-UHFFFAOYSA-N
XLogP0.98
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethenylsulfonylmethylsulfonylbenzene?
The IUPAC name of ethenylsulfonylmethylsulfonylbenzene (CID 23271245) is ethenylsulfonylmethylsulfonylbenzene.
What is the SMILES notation for ethenylsulfonylmethylsulfonylbenzene?
The canonical SMILES for ethenylsulfonylmethylsulfonylbenzene is C=CS(=O)(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of ethenylsulfonylmethylsulfonylbenzene?
The InChIKey is VUOBNYBDYSEGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S2/c1-2-14(10,11)8-15(12,13)9-6-4-3-5-7-9/h2-7H,1,8H2.
What are the key properties of ethenylsulfonylmethylsulfonylbenzene?
ethenylsulfonylmethylsulfonylbenzene has a molecular weight of 246.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylsulfonylmethylsulfonylbenzene is sourced from PubChem (CID 23271245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).