5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene

C14H18O2S — CID 134444374

IUPAC5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene
SMILESCCC1=CCC(S(=O)(=O)C2C=CC=CC2)C=C1
InChIInChI=1S/C14H18O2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-6,8-10,13-14H,2,7,11H2,1H3
InChIKeyTUSRNSLTIUTIMI-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.95
Rot. Bonds3

About 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene

5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene (PubChem CID 134444374) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene
PubChem CID134444374
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene
SMILESCCC1=CCC(S(=O)(=O)C2C=CC=CC2)C=C1
InChIInChI=1S/C14H18O2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-6,8-10,13-14H,2,7,11H2,1H3
InChIKeyTUSRNSLTIUTIMI-UHFFFAOYSA-N
XLogP2.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene 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 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene?
The IUPAC name of 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene (CID 134444374) is 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene?
The canonical SMILES for 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene is CCC1=CCC(S(=O)(=O)C2C=CC=CC2)C=C1.
What is the InChIKey of 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene?
The InChIKey is TUSRNSLTIUTIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-6,8-10,13-14H,2,7,11H2,1H3.
What are the key properties of 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene?
5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene has a molecular weight of 250.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-ethylcyclohexa-1,3-diene is sourced from PubChem (CID 134444374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).