2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone

C13H10N2O4S — CID 107342739

IUPAC2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone
SMILESO=C(CN1C=NS(=O)(=O)c2ccccc21)c1ccco1
InChIInChI=1S/C13H10N2O4S/c16-11(12-5-3-7-19-12)8-15-9-14-20(17,18)13-6-2-1-4-10(13)15/h1-7,9H,8H2
InChIKeyXEIXYFWCPOSIJF-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.70
Rot. Bonds3

About 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone

2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone (PubChem CID 107342739) has the molecular formula C13H10N2O4S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone
PubChem CID107342739
Molecular FormulaC13H10N2O4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC Name2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone
SMILESO=C(CN1C=NS(=O)(=O)c2ccccc21)c1ccco1
InChIInChI=1S/C13H10N2O4S/c16-11(12-5-3-7-19-12)8-15-9-14-20(17,18)13-6-2-1-4-10(13)15/h1-7,9H,8H2
InChIKeyXEIXYFWCPOSIJF-UHFFFAOYSA-N
XLogP1.70
TPSA79.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone with MolForge

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Related Compounds

2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide
CID 8669477
1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone
CID 2151551
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-1-(furan-2-yl)ethanone
CID 62023845
5-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)pentane-1-thiol
CID 107342912
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 6626159
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 22589157
methyl 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]benzoate
CID 175523929
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 62016952
2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride
CID 2881350
6-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-2,2-dimethylhexan-1-amine
CID 107342600
1-[2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)ethyl]pyrazol-3-amine
CID 107342559

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone (CID 107342739) is 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone is O=C(CN1C=NS(=O)(=O)c2ccccc21)c1ccco1.
What is the InChIKey of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone?
The InChIKey is XEIXYFWCPOSIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S/c16-11(12-5-3-7-19-12)8-15-9-14-20(17,18)13-6-2-1-4-10(13)15/h1-7,9H,8H2.
What are the key properties of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone?
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone has a molecular weight of 290.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 107342739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).