1-ethylsulfonylnaphthalene

C12H12O2S — CID 14044442

IUPAC1-ethylsulfonylnaphthalene
SMILESCCS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H12O2S/c1-2-15(13,14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKeyDSPQDLNLBJYHKR-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.63
Rot. Bonds2

About 1-ethylsulfonylnaphthalene

1-ethylsulfonylnaphthalene (PubChem CID 14044442) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-ethylsulfonylnaphthalene.

Molecular Properties

Compound Name1-ethylsulfonylnaphthalene
PubChem CID14044442
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name1-ethylsulfonylnaphthalene
SMILESCCS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H12O2S/c1-2-15(13,14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKeyDSPQDLNLBJYHKR-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethylsulfonylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylnaphthalene?
The IUPAC name of 1-ethylsulfonylnaphthalene (CID 14044442) is 1-ethylsulfonylnaphthalene.
What is the SMILES notation for 1-ethylsulfonylnaphthalene?
The canonical SMILES for 1-ethylsulfonylnaphthalene is CCS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 1-ethylsulfonylnaphthalene?
The InChIKey is DSPQDLNLBJYHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-2-15(13,14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3.
What are the key properties of 1-ethylsulfonylnaphthalene?
1-ethylsulfonylnaphthalene has a molecular weight of 220.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylnaphthalene is sourced from PubChem (CID 14044442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).