Molecular Details
DICL_CP_0313025
- 1,2-benzoxazol-3-ylmethanesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313025
PubChem CID
Molecular Formula
C8H8N2O3S Molecular Weight
212.23 g/mol
Synonyms/Alias
[zonisamide; 68291-97-4; Zonegran; 1;2-Benzisoxazole-3-methanesulfonamide; Exceglan; Excegram; 1;2-benzoxazol-3-ylmethanesulfonamide; Excegran; AD-810; Zonisamida; Zonisamidum; Zonisamidum [Latin]; Zo...
InChI Key
UBQNRHZMVUUOMG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
IUPAC Name
1,2-benzoxazol-3-ylmethanesulfonamide
CAS Number
68291-97-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
22 23 0 0 0 0 0 0 0 0999 V2000
2.1651 1.0134 1.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9979 1.1721 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6535 0.576...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor alpha-2
Uniprot Accession Number
Function
Allosteric Modulator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 112000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−60 mV mV
Temperature
18 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
2
logP
0.6163
Complexity
50.8202
TPSA (Ų)
86.19
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
2