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Basic Information
CAS No.: 68936-43-6
Name: N-Acetyl Zonisamide
Molecular Structure:
Molecular Structure of 68936-43-6 (N-Acetyl Zonisamide)
Formula: C10H10N2O4S
Molecular Weight: 254.26
Synonyms: N-[(1,2-Benzoxazol-3-ylmethyl)sulfonyl]acetamide;
Density: 1.446 g/cm3
Melting Point: 183-185 °C
Appearance: White solid
PSA: 97.65000
LogP: 2.26540
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Specification

The Acetamide, N-[(1,2-benzisoxazol-3-ylmethyl)sulfonyl]- with CAS registry number of 68936-43-6 is also known as N-Acetyl zonisamide. The systematic name is N-[(1,2-Benzoxazol-3-ylmethyl)sulfonyl]acetamide. It belongs to product categories of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. In addition, the formula is C10H10N2O4S and the molecular weight is 254.26. What's more, it is used as a metabolite of zonisamide.

Physical properties about Acetamide, N-[(1,2-benzisoxazol-3-ylmethyl)sulfonyl]- are: (1)ACD/LogP: 0.39; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 61.066 cm3; (13)Molar Volume: 175.86 cm3; (14)Surface Tension: 61.175 dyne/cm; (15)Density: 1.446 g/cm3.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(NS(=O)(=O)Cc2noc1ccccc12)C
2. InChI: InChI=1/C10H10N2O4S/c1-7(13)12-17(14,15)6-9-8-4-2-3-5-10(8)16-11-9/h2-5H,6H2,1H3,(H,12,13)
3. InChIKey: HXFUTAFSEXINIW-UHFFFAOYAA
4. Std. InChI: InChI=1S/C10H10N2O4S/c1-7(13)12-17(14,15)6-9-8-4-2-3-5-10(8)16-11-9/h2-5H,6H2,1H3,(H,12,13)
5. Std. InChIKey: HXFUTAFSEXINIW-UHFFFAOYSA-N