4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
Basic information
- CAS
878610-64-1- Standard SMILES
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccn(C)n2)cc1- InChIKey
AOYZXXBNQVVBCE-UHFFFAOYSA-N- Molecular formula
- C13H16N4O3S
- Average molar mass
- 308.36 g/mol
- Monoisotopic mass
- 308.09431156
Names & identifiers
- Preferred name
- 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
- IUPAC
- 4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
Names & synonyms
4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamideMLS001175252CHEMBL1711980DTXSID701330184HMS2902H20AKOS033030032878610-64-1SMR000595767AB00776470-01Z1085450344-(dimethylsulfamoyl)-N-(1-methyl-1H-pyrazol-3-yl)benzamide
Database identifiers
- CAS
878610-64-1- PubChem CID
- 7638262
- DTXSID
DTXSID701330184- ChEMBL
CHEMBL1711980
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Experimental & physicochemical properties
Solubility44.2 [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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