2-prop-2-enylsulfonylnaphthalene

C13H12O2S — CID 851230

IUPAC2-prop-2-enylsulfonylnaphthalene
SMILESC=CCS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H12O2S/c1-2-9-16(14,15)13-8-7-11-5-3-4-6-12(11)10-13/h2-8,10H,1,9H2
InChIKeyDBNDUKDYRPXXJT-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.80
Rot. Bonds3

About 2-prop-2-enylsulfonylnaphthalene

2-prop-2-enylsulfonylnaphthalene (PubChem CID 851230) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-prop-2-enylsulfonylnaphthalene.

Molecular Properties

Compound Name2-prop-2-enylsulfonylnaphthalene
PubChem CID851230
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name2-prop-2-enylsulfonylnaphthalene
SMILESC=CCS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H12O2S/c1-2-9-16(14,15)13-8-7-11-5-3-4-6-12(11)10-13/h2-8,10H,1,9H2
InChIKeyDBNDUKDYRPXXJT-UHFFFAOYSA-N
XLogP2.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfonylnaphthalene?
The IUPAC name of 2-prop-2-enylsulfonylnaphthalene (CID 851230) is 2-prop-2-enylsulfonylnaphthalene.
What is the SMILES notation for 2-prop-2-enylsulfonylnaphthalene?
The canonical SMILES for 2-prop-2-enylsulfonylnaphthalene is C=CCS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-prop-2-enylsulfonylnaphthalene?
The InChIKey is DBNDUKDYRPXXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-2-9-16(14,15)13-8-7-11-5-3-4-6-12(11)10-13/h2-8,10H,1,9H2.
What are the key properties of 2-prop-2-enylsulfonylnaphthalene?
2-prop-2-enylsulfonylnaphthalene has a molecular weight of 232.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfonylnaphthalene is sourced from PubChem (CID 851230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).