N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
Basic information
- CAS
352205-75-5- Standard SMILES
Cc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1- InChIKey
YRKOLCUABJBOOC-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2S2
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.02926895
Names & identifiers
- Preferred name
- N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
- IUPAC
- N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
Names & synonyms
N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide352205-75-5MLS000806979SMR000414777Benzo[1,2,5]thiadiazole-4-sulfonic acid p-tolylamideN-(p-tolyl)benzo[c][1,2,5]thiadiazole-4-sulfonamideOprea1_826793cid_949019CHEMBL1429233BDBM90698DTXSID001322338HMS2774H17
Show more names
N-(p-tolyl)piazthiole-4-sulfonamideSTK731104AKOS003980570AKOS005525976AG-205/36957161SR-01000517211SR-01000517211-1
Database identifiers
- CAS
352205-75-5- PubChem CID
- 949019
- DTXSID
DTXSID001322338- ChEMBL
CHEMBL1429233
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Experimental & physicochemical properties
Solubility36 [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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