cyclohexa-1,5-dien-1-ylsulfonylbenzene

C12H12O2S — CID 10955085

IUPACcyclohexa-1,5-dien-1-ylsulfonylbenzene
SMILESO=S(=O)(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C12H12O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-5,7-10H,2,6H2
InChIKeyVFNKGBTVDLBPBK-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.69
Rot. Bonds2

About cyclohexa-1,5-dien-1-ylsulfonylbenzene

cyclohexa-1,5-dien-1-ylsulfonylbenzene (PubChem CID 10955085) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylsulfonylbenzene.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylsulfonylbenzene
PubChem CID10955085
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Namecyclohexa-1,5-dien-1-ylsulfonylbenzene
SMILESO=S(=O)(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C12H12O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-5,7-10H,2,6H2
InChIKeyVFNKGBTVDLBPBK-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylsulfonylbenzene?
The IUPAC name of cyclohexa-1,5-dien-1-ylsulfonylbenzene (CID 10955085) is cyclohexa-1,5-dien-1-ylsulfonylbenzene.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylsulfonylbenzene?
The canonical SMILES for cyclohexa-1,5-dien-1-ylsulfonylbenzene is O=S(=O)(C1=CCCC=C1)c1ccccc1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylsulfonylbenzene?
The InChIKey is VFNKGBTVDLBPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-5,7-10H,2,6H2.
What are the key properties of cyclohexa-1,5-dien-1-ylsulfonylbenzene?
cyclohexa-1,5-dien-1-ylsulfonylbenzene has a molecular weight of 220.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylsulfonylbenzene is sourced from PubChem (CID 10955085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).