4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

C8H8N2O3S — CID 11615432

IUPAC4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCN1C(=O)NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H8N2O3S/c1-10-6-4-2-3-5-7(6)14(12,13)9-8(10)11/h2-5H,1H3,(H,9,11)
InChIKeyRQCMUVKZNMGOOY-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.53
Rot. Bonds

About 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 11615432) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
PubChem CID11615432
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCN1C(=O)NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H8N2O3S/c1-10-6-4-2-3-5-7(6)14(12,13)9-8(10)11/h2-5H,1H3,(H,9,11)
InChIKeyRQCMUVKZNMGOOY-UHFFFAOYSA-N
XLogP0.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (CID 11615432) is 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is CN1C(=O)NS(=O)(=O)c2ccccc21.
What is the InChIKey of 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is RQCMUVKZNMGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-10-6-4-2-3-5-7(6)14(12,13)9-8(10)11/h2-5H,1H3,(H,9,11).
What are the key properties of 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 212.23 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 11615432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).