Basic information
- Standard SMILES
Cc1noc(NS(=O)(=O)c2cc3ccccc3s2)c1C- InChIKey
UECNEXAVUODUTK-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3S2
- Average molar mass
- 308.4 g/mol
Names & identifiers
- Preferred name
- N-(3,4-Dimethyl-5-isoxazolyl)benzo[b]thiophene-2-sulfonamide
- IUPAC
- N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-benzothiophene-2-sulfonamide
Names & synonyms
SCHEMBL6151716UECNEXAVUODUTK-UHFFFAOYSA-NN-(3,4-Dimethyl-5-isoxazolyl)benzo[b]thiophene-2-sulfonamide
Database identifiers
- PubChem CID
- 23445482
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 451
Related reactions
8 records
Compound notes
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