11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine

C15H14O3S — CID 57006154

IUPAC11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine
SMILESCS(=O)(=O)C1c2ccccc2COc2ccccc21
InChIInChI=1S/C15H14O3S/c1-19(16,17)15-12-7-3-2-6-11(12)10-18-14-9-5-4-8-13(14)15/h2-9,15H,10H2,1H3
InChIKeyKIQQIAZTDAWGAO-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.71
Rot. Bonds1

About 11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine

11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine (PubChem CID 57006154) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine.

Molecular Properties

Compound Name11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine
PubChem CID57006154
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine
SMILESCS(=O)(=O)C1c2ccccc2COc2ccccc21
InChIInChI=1S/C15H14O3S/c1-19(16,17)15-12-7-3-2-6-11(12)10-18-14-9-5-4-8-13(14)15/h2-9,15H,10H2,1H3
InChIKeyKIQQIAZTDAWGAO-UHFFFAOYSA-N
XLogP2.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine 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 11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine?
The IUPAC name of 11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine (CID 57006154) is 11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine.
What is the SMILES notation for 11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine?
The canonical SMILES for 11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine is CS(=O)(=O)C1c2ccccc2COc2ccccc21.
What is the InChIKey of 11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine?
The InChIKey is KIQQIAZTDAWGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-19(16,17)15-12-7-3-2-6-11(12)10-18-14-9-5-4-8-13(14)15/h2-9,15H,10H2,1H3.
What are the key properties of 11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine?
11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine has a molecular weight of 274.34 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine is sourced from PubChem (CID 57006154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).