Basic information
- CAS
749914-26-9- Standard SMILES
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1- InChIKey
OIKRZQLOYCDDLV-UHFFFAOYSA-N- Molecular formula
- C22H21N3O5S
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.12019195
Names & identifiers
- Preferred name
- 4-[[4-[(2-Methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
- IUPAC
- 4-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
Names & synonyms
MLS0022451064-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamideSMR001308771CHEMBL1703160cid_3939714BDBM100161DTXSID201332630HMS3050L06AKOS034128597749914-26-9AB00747900-01Z30242430
Show more names
4-[[4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoyl]amino]benzamide4-[[[4-[(2-methoxyphenyl)-methylsulfamoyl]phenyl]-oxomethyl]amino]benzamide4-[[4-[(2-methoxyphenyl)-methyl-sulfamoyl]phenyl]carbonylamino]benzamideN-(4-carbamoylphenyl)-4-[(2-methoxyphenyl)(methyl)sulfamoyl]benzamide
Database identifiers
- CAS
749914-26-9- PubChem CID
- 3939714
- DTXSID
DTXSID201332630- ChEMBL
CHEMBL1703160
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 722
Experimental & physicochemical properties
Solubility6.1 [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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