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

C8H8N2O3S — CID 10081897

IUPAC7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCc1ccc2c(c1)S(=O)(=O)NC(=O)N2
InChIInChI=1S/C8H8N2O3S/c1-5-2-3-6-7(4-5)14(12,13)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
InChIKeyZZPWPCXHSCJIEN-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.82
Rot. Bonds

About 7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 10081897) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
PubChem CID10081897
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCc1ccc2c(c1)S(=O)(=O)NC(=O)N2
InChIInChI=1S/C8H8N2O3S/c1-5-2-3-6-7(4-5)14(12,13)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
InChIKeyZZPWPCXHSCJIEN-UHFFFAOYSA-N
XLogP0.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (CID 10081897) is 7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is Cc1ccc2c(c1)S(=O)(=O)NC(=O)N2.
What is the InChIKey of 7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is ZZPWPCXHSCJIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-5-2-3-6-7(4-5)14(12,13)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 212.23 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 10081897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).