2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine

C8H6F3N3O2S — CID 67401118

IUPAC2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine
SMILESNC1=NS(=O)(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C8H6F3N3O2S/c9-8(10,11)4-1-2-5-6(3-4)13-17(15,16)14-7(5)12/h1-3,13H,(H2,12,14)
InChIKeyVWTDOHIDKNHNAJ-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.08
Rot. Bonds

About 2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine

2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine (PubChem CID 67401118) has the molecular formula C8H6F3N3O2S and a molecular weight of 265.22 g/mol. Its IUPAC name is 2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine.

Molecular Properties

Compound Name2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine
PubChem CID67401118
Molecular FormulaC8H6F3N3O2S
Molecular Weight265.22 g/mol
Exact Mass265.01
IUPAC Name2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine
SMILESNC1=NS(=O)(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C8H6F3N3O2S/c9-8(10,11)4-1-2-5-6(3-4)13-17(15,16)14-7(5)12/h1-3,13H,(H2,12,14)
InChIKeyVWTDOHIDKNHNAJ-UHFFFAOYSA-N
XLogP1.08
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine?
The IUPAC name of 2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine (CID 67401118) is 2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine.
What is the SMILES notation for 2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine?
The canonical SMILES for 2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine is NC1=NS(=O)(=O)Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine?
The InChIKey is VWTDOHIDKNHNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2S/c9-8(10,11)4-1-2-5-6(3-4)13-17(15,16)14-7(5)12/h1-3,13H,(H2,12,14).
What are the key properties of 2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine?
2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine has a molecular weight of 265.22 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-amine is sourced from PubChem (CID 67401118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).