3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C12H9N3O2S — CID 70012623

IUPAC3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(c2ccccn2)Nc2ccccc21
InChIInChI=1S/C12H9N3O2S/c16-18(17)11-7-2-1-5-9(11)14-12(15-18)10-6-3-4-8-13-10/h1-8H,(H,14,15)
InChIKeyZVMNRHLVTDRNTK-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.64
Rot. Bonds1

About 3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 70012623) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID70012623
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(c2ccccn2)Nc2ccccc21
InChIInChI=1S/C12H9N3O2S/c16-18(17)11-7-2-1-5-9(11)14-12(15-18)10-6-3-4-8-13-10/h1-8H,(H,14,15)
InChIKeyZVMNRHLVTDRNTK-UHFFFAOYSA-N
XLogP1.64
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 70012623) is 3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=C(c2ccccn2)Nc2ccccc21.
What is the InChIKey of 3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is ZVMNRHLVTDRNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c16-18(17)11-7-2-1-5-9(11)14-12(15-18)10-6-3-4-8-13-10/h1-8H,(H,14,15).
What are the key properties of 3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 259.29 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 70012623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).