Basic information
- CAS
438031-76-6- Standard SMILES
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1- InChIKey
RUDIQLAFCLKQJS-UHFFFAOYSA-N- Molecular formula
- C21H26N4O7S
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.15222035
Names & identifiers
- Preferred name
- N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(morpholin-4-yl)-3-nitrobenzamide
- IUPAC
- N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-morpholin-4-yl-3-nitrobenzamide
Names & synonyms
SMR000243262MLS000401548MLS003911668CHEMBL1478944DTXSID701133285HMS2531A13AKOS034456396N-[5-[(Diethylamino)sulfonyl]-2-hydroxyphenyl]-4-(4-morpholinyl)-3-nitrobenzamide438031-76-6AB00560505-06Z56801168N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(morpholin-4-yl)-3-nitrobenzamide
Database identifiers
- CAS
438031-76-6- PubChem CID
- 5072235
- DTXSID
DTXSID701133285- ChEMBL
CHEMBL1478944
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 774
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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