3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C13H10Cl2N2O2S — CID 46319167

IUPAC3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NC(c2ccc(Cl)cc2Cl)Nc2ccccc21
InChIInChI=1S/C13H10Cl2N2O2S/c14-8-5-6-9(10(15)7-8)13-16-11-3-1-2-4-12(11)20(18,19)17-13/h1-7,13,16-17H
InChIKeyKSSUQBUASGCDFU-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.40
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 46319167) has the molecular formula C13H10Cl2N2O2S and a molecular weight of 329.21 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID46319167
Molecular FormulaC13H10Cl2N2O2S
Molecular Weight329.21 g/mol
Exact Mass327.98
IUPAC Name3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NC(c2ccc(Cl)cc2Cl)Nc2ccccc21
InChIInChI=1S/C13H10Cl2N2O2S/c14-8-5-6-9(10(15)7-8)13-16-11-3-1-2-4-12(11)20(18,19)17-13/h1-7,13,16-17H
InChIKeyKSSUQBUASGCDFU-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-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 3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 46319167) is 3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NC(c2ccc(Cl)cc2Cl)Nc2ccccc21.
What is the InChIKey of 3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is KSSUQBUASGCDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2S/c14-8-5-6-9(10(15)7-8)13-16-11-3-1-2-4-12(11)20(18,19)17-13/h1-7,13,16-17H.
What are the key properties of 3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 329.21 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 46319167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).