4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide

C12H8F2N2O2S — CID 68712604

IUPAC4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESO=S1(=O)Nc2c(F)cccc2N1c1ccccc1F
InChIInChI=1S/C12H8F2N2O2S/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15-19(16,17)18/h1-7,15H
InChIKeyVGSGUDVCDALMKI-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.77
Rot. Bonds1

About 4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide

4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide (PubChem CID 68712604) has the molecular formula C12H8F2N2O2S and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide.

Molecular Properties

Compound Name4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide
PubChem CID68712604
Molecular FormulaC12H8F2N2O2S
Molecular Weight282.27 g/mol
Exact Mass282.03
IUPAC Name4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESO=S1(=O)Nc2c(F)cccc2N1c1ccccc1F
InChIInChI=1S/C12H8F2N2O2S/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15-19(16,17)18/h1-7,15H
InChIKeyVGSGUDVCDALMKI-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-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-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The IUPAC name of 4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide (CID 68712604) is 4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide.
What is the SMILES notation for 4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The canonical SMILES for 4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide is O=S1(=O)Nc2c(F)cccc2N1c1ccccc1F.
What is the InChIKey of 4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The InChIKey is VGSGUDVCDALMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2S/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15-19(16,17)18/h1-7,15H.
What are the key properties of 4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide has a molecular weight of 282.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-fluorophenyl)-3H-2λ6,1,3-benzothiadiazole 2,2-dioxide is sourced from PubChem (CID 68712604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).