4-bromo-6-deuteriodibenzothiophene 5,5-dioxide

C12H7BrO2S — CID 164823122

IUPAC4-bromo-6-deuteriodibenzothiophene 5,5-dioxide
SMILES[2H]c1cccc2c1S(=O)(=O)c1c(Br)cccc1-2
InChIInChI=1S/C12H7BrO2S/c13-10-6-3-5-9-8-4-1-2-7-11(8)16(14,15)12(9)10/h1-7H/i7D
InChIKeyOSNPQKLEXGPSMO-WHRKIXHSSA-N
MW296.16 g/mol
LogP3.26
Rot. Bonds

About 4-bromo-6-deuteriodibenzothiophene 5,5-dioxide

4-bromo-6-deuteriodibenzothiophene 5,5-dioxide (PubChem CID 164823122) has the molecular formula C12H7BrO2S and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-bromo-6-deuteriodibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name4-bromo-6-deuteriodibenzothiophene 5,5-dioxide
PubChem CID164823122
Molecular FormulaC12H7BrO2S
Molecular Weight296.16 g/mol
Exact Mass294.94
IUPAC Name4-bromo-6-deuteriodibenzothiophene 5,5-dioxide
SMILES[2H]c1cccc2c1S(=O)(=O)c1c(Br)cccc1-2
InChIInChI=1S/C12H7BrO2S/c13-10-6-3-5-9-8-4-1-2-7-11(8)16(14,15)12(9)10/h1-7H/i7D
InChIKeyOSNPQKLEXGPSMO-WHRKIXHSSA-N
XLogP3.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-6-deuteriodibenzothiophene 5,5-dioxide 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 4-bromo-6-deuteriodibenzothiophene 5,5-dioxide?
The IUPAC name of 4-bromo-6-deuteriodibenzothiophene 5,5-dioxide (CID 164823122) is 4-bromo-6-deuteriodibenzothiophene 5,5-dioxide.
What is the SMILES notation for 4-bromo-6-deuteriodibenzothiophene 5,5-dioxide?
The canonical SMILES for 4-bromo-6-deuteriodibenzothiophene 5,5-dioxide is [2H]c1cccc2c1S(=O)(=O)c1c(Br)cccc1-2.
What is the InChIKey of 4-bromo-6-deuteriodibenzothiophene 5,5-dioxide?
The InChIKey is OSNPQKLEXGPSMO-WHRKIXHSSA-N. The full InChI is InChI=1S/C12H7BrO2S/c13-10-6-3-5-9-8-4-1-2-7-11(8)16(14,15)12(9)10/h1-7H/i7D.
What are the key properties of 4-bromo-6-deuteriodibenzothiophene 5,5-dioxide?
4-bromo-6-deuteriodibenzothiophene 5,5-dioxide has a molecular weight of 296.16 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-deuteriodibenzothiophene 5,5-dioxide is sourced from PubChem (CID 164823122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).