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

C16H14N2O4S — CID 7125871

IUPAC2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2C=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O4S/c1-22-13-8-6-12(7-9-13)15(19)10-18-11-17-23(20,21)16-5-3-2-4-14(16)18/h2-9,11H,10H2,1H3
InChIKeyCFIMUWXDTXNANB-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.12
Rot. Bonds4

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

2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 7125871) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID7125871
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2C=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O4S/c1-22-13-8-6-12(7-9-13)15(19)10-18-11-17-23(20,21)16-5-3-2-4-14(16)18/h2-9,11H,10H2,1H3
InChIKeyCFIMUWXDTXNANB-UHFFFAOYSA-N
XLogP2.12
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-4-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 107342744
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 6626159
methyl 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]benzoate
CID 175523929
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide
CID 8669477
(Z)-4-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-2-methylbut-2-enoic acid
CID 107342640
2-(4-ethylphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 18590474
(Z)-4-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-2-ethylbut-2-enoic acid
CID 107342621
5-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]furan-3-carboxylic acid
CID 107342607
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 134848259
1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
CID 829976

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone (CID 7125871) is 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN2C=NS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is CFIMUWXDTXNANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-22-13-8-6-12(7-9-13)15(19)10-18-11-17-23(20,21)16-5-3-2-4-14(16)18/h2-9,11H,10H2,1H3.
What are the key properties of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone?
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 330.37 g/mol, XLogP of 2.12, 4 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-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 7125871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).