Basic information
- CAS
1026963-12-1- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)OCCO2- InChIKey
GSZITTSASOQZCW-UHFFFAOYSA-N- Molecular formula
- C15H14N2O6S
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 350.05725734
Names & identifiers
- Preferred name
- N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
- IUPAC
- N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Names & synonyms
DTXSID2011608892,3-Dihydro-N-(2-methyl-5-nitrophenyl)-1,4-benzodioxin-6-sulfonamideN-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide1026963-12-1
Database identifiers
- CAS
1026963-12-1- PubChem CID
- 7952802
- DTXSID
DTXSID201160889
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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