Basic information
- CAS
564452-31-9- Standard SMILES
COc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc(OC)c1- InChIKey
XVJMYWRSNSCNSF-UHFFFAOYSA-N- Molecular formula
- C22H22N2O5S
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.12494298
Names & identifiers
- Preferred name
- N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
- IUPAC
- N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
Names & synonyms
N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamideMLS002248483CHEMBL1718279DTXSID401332624AKOS034145675564452-31-9SMR001315950Z30886288
Database identifiers
- CAS
564452-31-9- PubChem CID
- 3900901
- DTXSID
DTXSID401332624- ChEMBL
CHEMBL1718279
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 639
Experimental & physicochemical properties
Solubility5 [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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