2-bromo-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]benzamide
Basic information
- CAS
729563-04-6- Standard SMILES
NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2ccccc2Br)cc1- InChIKey
SJGYZXDPNVJKKP-UHFFFAOYSA-N- Molecular formula
- C16H16BrN3O3S2
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 440.98165
Names & identifiers
- Preferred name
- 2-bromo-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]benzamide
- IUPAC
- 2-bromo-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]benzamide
Names & synonyms
2-bromo-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]benzamideMLS002245268CHEMBL1715692DTXSID101329575HMS3095D09AKOS034449120729563-04-6SMR000834880Z560728652-Bromo-N-{[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}benzamide
Database identifiers
- CAS
729563-04-6- PubChem CID
- 2396852
- DTXSID
DTXSID101329575- ChEMBL
CHEMBL1715692
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 572
Experimental & physicochemical properties
Solubility3.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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