1-ethenylsulfonylnaphthalene

C12H10O2S — CID 89042354

IUPAC1-ethenylsulfonylnaphthalene
SMILESC=CS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H10O2S/c1-2-15(13,14)12-9-5-7-10-6-3-4-8-11(10)12/h2-9H,1H2
InChIKeyYJYKVDRIOCXYDT-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.76
Rot. Bonds2

About 1-ethenylsulfonylnaphthalene

1-ethenylsulfonylnaphthalene (PubChem CID 89042354) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-ethenylsulfonylnaphthalene.

Molecular Properties

Compound Name1-ethenylsulfonylnaphthalene
PubChem CID89042354
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name1-ethenylsulfonylnaphthalene
SMILESC=CS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H10O2S/c1-2-15(13,14)12-9-5-7-10-6-3-4-8-11(10)12/h2-9H,1H2
InChIKeyYJYKVDRIOCXYDT-UHFFFAOYSA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonylnaphthalene?
The IUPAC name of 1-ethenylsulfonylnaphthalene (CID 89042354) is 1-ethenylsulfonylnaphthalene.
What is the SMILES notation for 1-ethenylsulfonylnaphthalene?
The canonical SMILES for 1-ethenylsulfonylnaphthalene is C=CS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 1-ethenylsulfonylnaphthalene?
The InChIKey is YJYKVDRIOCXYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-2-15(13,14)12-9-5-7-10-6-3-4-8-11(10)12/h2-9H,1H2.
What are the key properties of 1-ethenylsulfonylnaphthalene?
1-ethenylsulfonylnaphthalene has a molecular weight of 218.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonylnaphthalene is sourced from PubChem (CID 89042354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).