Basic information
- CAS
706769-89-3- Standard SMILES
O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)OCO2- InChIKey
HTBBWZUBGGRBLS-UHFFFAOYSA-N- Molecular formula
- C16H15NO5S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.06709375
Names & identifiers
- Preferred name
- N-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamide
- IUPAC
- N-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamide
Names & synonyms
706769-89-3N-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamideN-(1,3-benzodioxol-5-yl)-2-(benzylsulfonyl)acetamideN-(2H-1,3-Benzodioxol-5-yl)-2-(phenylmethanesulfonyl)acetamideN-(2H-1,3-BENZODIOXOL-5-YL)-2-PHENYLMETHANESULFONYLACETAMIDEMLS000708263CHEMBL1489242DTXSID401332593HMS1687M04HMS2728E08STK159220AKOS000654862
Show more names
SMR000287730ST50630776VU0307159-2F2982-0212N-(benzo[d][1,3]dioxol-5-yl)-2-(benzylsulfonyl)acetamideN-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[benzylsulfonyl]acetamide
Database identifiers
- CAS
706769-89-3- PubChem CID
- 970896
- DTXSID
DTXSID401332593- ChEMBL
CHEMBL1489242
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 509
Experimental & physicochemical properties
Solubility15.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…