Basic information
- CAS
77408-54-9- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)n2c(=O)oc3ccc(Cl)cc32)cc1- InChIKey
PQYCBNLGTCXXEV-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O5S
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 366.0077203
Names & identifiers
- Preferred name
- N-{4-[(5-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)sulfonyl]phenyl}acetamide
- IUPAC
- N-[4-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)sulfonyl]phenyl]acetamide
Names & synonyms
77408-54-9NSC355382N-{4-[(5-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)sulfonyl]phenyl}acetamideDTXSID70320146NSC-355382N-[4-(5-Chloro-2-oxo-1,3-benzoxazole-3(2H)-sulfonyl)phenyl]acetamide
Database identifiers
- CAS
77408-54-9- PubChem CID
- 337446
- DTXSID
DTXSID70320146
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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