Basic information
- Standard SMILES
O=S(=O)(Cc1nc2ccccc2o1)c1ccccc1- InChIKey
WBCQHRGTWZLCIS-UHFFFAOYSA-N- Molecular formula
- C14H11NO3S
- Average molar mass
- 273.31 g/mol
- Monoisotopic mass
- 273.04596439
Names & identifiers
- Preferred name
- 2-Benzenesulfonylmethyl-benzooxazole
- IUPAC
- 2-(benzenesulfonylmethyl)-1,3-benzoxazole
Names & synonyms
SCHEMBL2069593WBCQHRGTWZLCIS-UHFFFAOYSA-N2-benzenesulfonylmethyl-benzooxazole
Database identifiers
- PubChem CID
- 12475398
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 397
Related reactions
2 records
Compound notes
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