4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide

C8H8N2O2S — CID 2137931

IUPAC4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESCN1C=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H8N2O2S/c1-10-6-9-13(11,12)8-5-3-2-4-7(8)10/h2-6H,1H3
InChIKeyGAMOILWTJHUYFX-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.85
Rot. Bonds

About 4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide

4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 2137931) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID2137931
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESCN1C=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H8N2O2S/c1-10-6-9-13(11,12)8-5-3-2-4-7(8)10/h2-6H,1H3
InChIKeyGAMOILWTJHUYFX-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide (CID 2137931) is 4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide is CN1C=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is GAMOILWTJHUYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-10-6-9-13(11,12)8-5-3-2-4-7(8)10/h2-6H,1H3.
What are the key properties of 4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 196.23 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 2137931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).