N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide
Basic information
- CAS
749878-08-8- Standard SMILES
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccn3)ccc2OC)cc1Br- InChIKey
LCUOPEPXBPSQIQ-UHFFFAOYSA-N- Molecular formula
- C20H18BrN3O5S
- Average molar mass
- 492.3 g/mol
- Monoisotopic mass
- 491.01505
Names & identifiers
- Preferred name
- N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide
- IUPAC
- N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide
Names & synonyms
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamideN-{3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl}pyridine-2-carboxamideMLS002248777CHEMBL1722560DTXSID201329904HMS3057M15AKOS001399468749878-08-8SMR001316236Z33580516
Database identifiers
- CAS
749878-08-8- PubChem CID
- 3906509
- DTXSID
DTXSID201329904- ChEMBL
CHEMBL1722560
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 674
Experimental & physicochemical properties
Solubility3.4 [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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