2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C9H12N2O2S — CID 16732459

IUPAC2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCN1CN(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C9H12N2O2S/c1-10-7-11(2)14(12,13)9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3
InChIKeyQHXFFCUJHFOTOM-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.71
Rot. Bonds

About 2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide

2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 16732459) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID16732459
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCN1CN(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C9H12N2O2S/c1-10-7-11(2)14(12,13)9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3
InChIKeyQHXFFCUJHFOTOM-UHFFFAOYSA-N
XLogP0.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 16732459) is 2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CN1CN(C)S(=O)(=O)c2ccccc21.
What is the InChIKey of 2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is QHXFFCUJHFOTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-10-7-11(2)14(12,13)9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3.
What are the key properties of 2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 212.27 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 16732459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).