Basic information
- CAS
433695-79-5- Standard SMILES
Nc1nc(NS(=O)(=O)c2ccccc2)nn1-c1ccccc1- InChIKey
LJXSPXYVFTXKCH-UHFFFAOYSA-N- Molecular formula
- C14H13N5O2S
- Average molar mass
- 315.35 g/mol
- Monoisotopic mass
- 315.07899585
Names & identifiers
- Preferred name
- N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
- IUPAC
- N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
Names & synonyms
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide433695-79-5N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)benzenesulfonamideCambridge id 6971981MLS000777930CHEMBL1503116SCHEMBL12781304DTXSID101332970HMS2766L17STL300811AKOS022135684SMR000414324
Show more names
AE-848/41150900N-(5-Amino-1-phenyl-1H-[1,2,4]triazol-3-yl)-benzenesulfonamide
Database identifiers
- CAS
433695-79-5- PubChem CID
- 802147
- DTXSID
DTXSID101332970- ChEMBL
CHEMBL1503116
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Experimental & physicochemical properties
Solubility37.2 [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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