(5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
Basic information
- CAS
77408-70-9- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)Oc2noc3ccc(S(N)(=O)=O)cc23)cc1- InChIKey
CEWJCFUQXMMGMS-UHFFFAOYSA-N- Molecular formula
- C15H13N3O7S2
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.01949211
Names & identifiers
- Preferred name
- (5-Sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
- IUPAC
- (5-sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
Names & synonyms
77408-70-9(5-sulfamoyl-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonateDTXSID80320157RefChem:209532DTXCID70271280NSC355393NSC-3553935-Sulfamoyl-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate
Database identifiers
- CAS
77408-70-9- PubChem CID
- 337457
- DTXSID
DTXSID80320157
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 751
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Related reactions
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Compound notes
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