2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide

C8H8N2O2S — CID 67536819

IUPAC2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide
SMILESCN1N=Cc2ccccc2S1(=O)=O
InChIInChI=1S/C8H8N2O2S/c1-10-9-6-7-4-2-3-5-8(7)13(10,11)12/h2-6H,1H3
InChIKeyXJKVXRXLZIPUAN-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.65
Rot. Bonds

About 2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide

2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide (PubChem CID 67536819) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide
PubChem CID67536819
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide
SMILESCN1N=Cc2ccccc2S1(=O)=O
InChIInChI=1S/C8H8N2O2S/c1-10-9-6-7-4-2-3-5-8(7)13(10,11)12/h2-6H,1H3
InChIKeyXJKVXRXLZIPUAN-UHFFFAOYSA-N
XLogP0.65
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The IUPAC name of 2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide (CID 67536819) is 2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide is CN1N=Cc2ccccc2S1(=O)=O.
What is the InChIKey of 2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The InChIKey is XJKVXRXLZIPUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-10-9-6-7-4-2-3-5-8(7)13(10,11)12/h2-6H,1H3.
What are the key properties of 2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide?
2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide has a molecular weight of 196.23 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67536819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).