Basic information
- CAS
302583-51-3- Standard SMILES
CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2- InChIKey
ILGNDZBMRABVSX-UHFFFAOYSA-N- Molecular formula
- C16H17NO4S
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.0878292
Names & identifiers
- Preferred name
- N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
- IUPAC
- N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Names & synonyms
302583-51-3N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamideN-ethyl-N-phenyl-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamideF0307-0207Oprea1_158963Oprea1_715431MLS002252292IFLab1_000878CHEMBL2138078DTXSID501323498HMS1414H20HMS3069F17
Show more names
SMSSF-0043754AKOS001062962SMR001314639AE-848/11243104SR-01000420284SR-01000420284-1Z455104902,3-dihydro-1,4-benzodioxin-6-yl(N-ethyl-N-phenylamino)(oxo)-lambda-sulfaniumolate
Database identifiers
- CAS
302583-51-3- PubChem CID
- 722337
- DTXSID
DTXSID501323498- ChEMBL
CHEMBL2138078
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Experimental & physicochemical properties
Solubility26.3 [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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