Ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate
Basic information
- CAS
568556-89-8- Standard SMILES
CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1- InChIKey
UEDOYFOCQNPQFJ-UHFFFAOYSA-N- Molecular formula
- C19H22N2O8S2
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.08175801
Names & identifiers
- Preferred name
- Ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate
- IUPAC
- ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate
Names & synonyms
ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoateMLS002246045CHEMBL1704231DTXSID201332828HMS3069H15AKOS034374751NCGC01446952-01568556-89-8SMR001309670AB00719502-01Z45693439ethyl 4-{[2-hydroxy-5-(morpholine-4-sulfonyl)phenyl]sulfamoyl}benzoate
Database identifiers
- CAS
568556-89-8- PubChem CID
- 4585809
- DTXSID
DTXSID201332828- ChEMBL
CHEMBL1704231
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 807
Experimental & physicochemical properties
Solubility69.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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