4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide

C14H12N2O4S — CID 134848259

IUPAC4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCOc1ccc(C2=NS(=O)(=O)c3ccccc3N2O)cc1
InChIInChI=1S/C14H12N2O4S/c1-20-11-8-6-10(7-9-11)14-15-21(18,19)13-5-3-2-4-12(13)16(14)17/h2-9,17H,1H3
InChIKeyYZOXQGYOKWSHGV-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.04
Rot. Bonds2

About 4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 134848259) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID134848259
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCOc1ccc(C2=NS(=O)(=O)c3ccccc3N2O)cc1
InChIInChI=1S/C14H12N2O4S/c1-20-11-8-6-10(7-9-11)14-15-21(18,19)13-5-3-2-4-12(13)16(14)17/h2-9,17H,1H3
InChIKeyYZOXQGYOKWSHGV-UHFFFAOYSA-N
XLogP2.04
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 134848259) is 4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is COc1ccc(C2=NS(=O)(=O)c3ccccc3N2O)cc1.
What is the InChIKey of 4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is YZOXQGYOKWSHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-20-11-8-6-10(7-9-11)14-15-21(18,19)13-5-3-2-4-12(13)16(14)17/h2-9,17H,1H3.
What are the key properties of 4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 304.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 134848259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).