1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4,5,6,7-tetradeuterio-1,2-benzoxazol-3-yl)methanesulfonamide

2.1.2 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)/i1D,2D,3D,4D

2.1.3 InChI Key

UBQNRHZMVUUOMG-RHQRLBAQSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N

2.1.5 Isomeric SMILES

[2H]C1=C(C(=C2C(=C1[2H])C(=NO2)CS(=O)(=O)N)[2H])[2H]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1020720-04-0

2. (4,5,6,7-tetradeuterio-1,2-benzoxazol-3-yl)methanesulfonamide

3. 1,2-benzisoxazole-3-methanesulfonamide-d4

4. 1,2-benzisoxazole-4,5,6,7-d4-3-methanesulfonamide

5. 3-(sulfamoylmethyl)-1,2-benzisoxazole-d4

6. Zonisamid-15n D4

7. 1,2-(benzisoxazole-d4)-3-methanesulfonamide

8. Hy-b0124s

9. Dtxsid30662231

10. Mfcd31560877

11. Akos030243190

12. Cs-0200960

13. J-000620

14. 1-[(~2~h_4_)-1,2-benzoxazol-3-yl]methanesulfonamide

15. [(4,5,6,7-?h?)-1,2-benzoxazol-3-yl]methanesulfonamide

2.3 Create Date

2010-03-29

3 Chemical and Physical Properties

Molecular Formula	C₈H₈N₂O₃S
Molecular Weight	216.25 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	216.05067028 g/mol
Monoisotopic Mass	216.05067028 g/mol
Topological Polar Surface Area	94.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	298
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Zonisamide-D4