General Information of the Compound
Compound ID
CP0039345
Compound Name
1,2-benzoxazol-3-ylmethanesulfonamide
    Show/Hide
Synonyms
1,2-Benzisoxazole-3-methanesulfonamide
1,2-benzoxazol-3-ylmethanesulfonamide
1-(1,2-Benzoxazol-3-Yl)methanesulfonamide
1-(1,2-benzisoxazol-3-yl)methanesulfonamide
3-(Sulfamoylmethyl)-1,2-benzisoxazole
3-sulfamoylmethyl-1,2-benzisoxazole
AD 810
AD-810
AD-810N
E-2090
Elan brand of zonisamide
Exceglan
Excegram
Excegran
Excegran (TN)
PD 110843
PD-110843
SPR_2
Tremode
Trerief
Zonegran
Zonegran (TN)
Zonegran, Zonisamide
Zonisamida
Zonisamida [Spanish]
Zonisamide
Zonisamide (JAN/USAN/INN)
Zonisamide (ZNS)
Zonisamide [USAN:BAN:INN:JAN]
Zonisamide monosodium
Zonisamidum
Zonisamidum [Latin]
    Show/Hide
Structure
Formula
C8H8N2O3S
Molecular Weight
212.23
Canonical SMILES
NS(=O)(=O)Cc1noc2ccccc12
    Show/Hide
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)
    Show/Hide
InChIKey
UBQNRHZMVUUOMG-UHFFFAOYSA-N
CAS
68291-97-4
Physicochemical Property
logP
0.6163
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
86.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
14

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5734
SID: 15220241
ChEMBL ID
CHEMBL750
DrugBank ID
DB00909
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00209, Carbonic anhydrase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 259 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 259 nM
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 1412.5 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Zonisamide )
Drug Name Zonisamide
Company Eisai
Indication
Epilepsy
Approved