[2-(3-Cyanoanilino)-2-oxoethyl] 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
Basic information
- CAS
390386-21-7- Standard SMILES
N#Cc1cccc(NC(=O)COC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c1- InChIKey
SQGOCFDTTKDDDU-UHFFFAOYSA-N- Molecular formula
- C22H16ClN3O6S
- Average molar mass
- 485.9 g/mol
- Monoisotopic mass
- 485.0448341
Names & identifiers
- Preferred name
- [2-(3-Cyanoanilino)-2-oxoethyl] 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
- IUPAC
- [2-(3-cyanoanilino)-2-oxoethyl] 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
Names & synonyms
[2-(3-cyanoanilino)-2-oxoethyl] 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoateOprea1_056600MLS002252167CHEMBL1723191DTXSID101324599HMS3089O12AKOS034460472390386-21-7SMR001314514Z568436482-(3-Cyanoanilino)-2-oxoethyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
Database identifiers
- CAS
390386-21-7- PubChem CID
- 2360269
- DTXSID
DTXSID101324599- ChEMBL
CHEMBL1723191
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 854
Experimental & physicochemical properties
Solubility40.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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