1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone

C17H16N2O5S — CID 2151551

IUPAC1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone
SMILESCOc1ccc(OC)c(C(=O)CN2C=NS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C17H16N2O5S/c1-23-12-7-8-16(24-2)13(9-12)15(20)10-19-11-18-25(21,22)17-6-4-3-5-14(17)19/h3-9,11H,10H2,1-2H3
InChIKeySCDZYBXZYJXXDE-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.12
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone

1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone (PubChem CID 2151551) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone
PubChem CID2151551
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone
SMILESCOc1ccc(OC)c(C(=O)CN2C=NS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C17H16N2O5S/c1-23-12-7-8-16(24-2)13(9-12)15(20)10-19-11-18-25(21,22)17-6-4-3-5-14(17)19/h3-9,11H,10H2,1-2H3
InChIKeySCDZYBXZYJXXDE-UHFFFAOYSA-N
XLogP2.12
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone with MolForge

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Related Compounds

2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 6626159
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide
CID 8669477
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
methyl 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]benzoate
CID 175523929
1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063556
1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792599
1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 60625228
(Z)-4-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-2-ethylbut-2-enoic acid
CID 107342621
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
(3S)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 957706

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone (CID 2151551) is 1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone is COc1ccc(OC)c(C(=O)CN2C=NS(=O)(=O)c3ccccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone?
The InChIKey is SCDZYBXZYJXXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-23-12-7-8-16(24-2)13(9-12)15(20)10-19-11-18-25(21,22)17-6-4-3-5-14(17)19/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone?
1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone has a molecular weight of 360.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)ethanone is sourced from PubChem (CID 2151551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).