Basic information
- Standard SMILES
O=Cc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc3c(c2)OCCO3)c1- InChIKey
HSCYRXXXFKFZTL-UHFFFAOYSA-N- Molecular formula
- C19H15NO5S
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- 1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-phenyl-1H-pyrrole-3-carbaldehyde
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-phenylpyrrole-3-carbaldehyde
Names & synonyms
SCHEMBL1156540HSCYRXXXFKFZTL-UHFFFAOYSA-N1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-phenyl-1H-pyrrole-3-carbaldehyde
Database identifiers
- PubChem CID
- 86620752
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 598
Related reactions
2 records
Compound notes
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