N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
Basic information
- CAS
848618-73-5- Standard SMILES
Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1- InChIKey
QHVRDKSEPFYPOC-UHFFFAOYSA-N- Molecular formula
- C20H22N2O6S
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.1198576
Names & identifiers
- Preferred name
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
Names & synonyms
848618-73-5N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-(4-morpholinylsulfonyl)benzamideN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-(morpholine-4-sulfonyl)benzamideN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamideMLS002171801CHEMBL1718848DTXSID501332722HMS3083B18STL384501AKOS001119207SMR001252091Z27668523
Show more names
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-(morpholin-4-ylsulfonyl)benzamide
Database identifiers
- CAS
848618-73-5- PubChem CID
- 4854007
- DTXSID
DTXSID501332722- ChEMBL
CHEMBL1718848
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 675
Experimental & physicochemical properties
Solubility41.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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