N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]cyclobutanecarboxamide
Basic information
- CAS
763095-41-6- Standard SMILES
COc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1cc(C)ccc1Br- InChIKey
WVWYDJYTXUAPNJ-UHFFFAOYSA-N- Molecular formula
- C19H21BrN2O4S
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 452.04054
Names & identifiers
- Preferred name
- N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]cyclobutanecarboxamide
- IUPAC
- N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]cyclobutanecarboxamide
Names & synonyms
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]cyclobutanecarboxamideN-{3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl}cyclobutanecarboxamideMLS002245881CHEMBL1735341DTXSID401329655HMS3095K06AKOS034065065763095-41-6SMR001309514Z28700057
Database identifiers
- CAS
763095-41-6- PubChem CID
- 3598221
- DTXSID
DTXSID401329655- ChEMBL
CHEMBL1735341
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 620
Experimental & physicochemical properties
Solubility1.1 [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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