2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

C14H12N2O4S — CID 7245958

IUPAC2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCOc1ccccc1N1C(=O)Nc2ccccc2S1(=O)=O
InChIInChI=1S/C14H12N2O4S/c1-20-12-8-4-3-7-11(12)16-14(17)15-10-6-2-5-9-13(10)21(16,18)19/h2-9H,1H3,(H,15,17)
InChIKeyAKGPKVRYULOGBX-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.44
Rot. Bonds2

About 2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 7245958) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
PubChem CID7245958
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCOc1ccccc1N1C(=O)Nc2ccccc2S1(=O)=O
InChIInChI=1S/C14H12N2O4S/c1-20-12-8-4-3-7-11(12)16-14(17)15-10-6-2-5-9-13(10)21(16,18)19/h2-9H,1H3,(H,15,17)
InChIKeyAKGPKVRYULOGBX-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (CID 7245958) is 2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is COc1ccccc1N1C(=O)Nc2ccccc2S1(=O)=O.
What is the InChIKey of 2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is AKGPKVRYULOGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-20-12-8-4-3-7-11(12)16-14(17)15-10-6-2-5-9-13(10)21(16,18)19/h2-9H,1H3,(H,15,17).
What are the key properties of 2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 304.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 7245958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).