4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

C14H12N2O3S — CID 8721673

IUPAC4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESO=C1NS(=O)(=O)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C14H12N2O3S/c17-14-15-20(18,19)13-9-5-4-8-12(13)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
InChIKeyAXSIIVGAOIWSJU-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.11
Rot. Bonds2

About 4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 8721673) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
PubChem CID8721673
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESO=C1NS(=O)(=O)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C14H12N2O3S/c17-14-15-20(18,19)13-9-5-4-8-12(13)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
InChIKeyAXSIIVGAOIWSJU-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (CID 8721673) is 4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is O=C1NS(=O)(=O)c2ccccc2N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is AXSIIVGAOIWSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-14-15-20(18,19)13-9-5-4-8-12(13)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17).
What are the key properties of 4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 288.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 8721673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).