5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide
Basic information
- CAS
144462-46-4- Standard SMILES
NS(=O)(=O)c1nnc(NS(=O)(=O)C(F)(F)F)s1- InChIKey
JHGJJWFACYMJQC-UHFFFAOYSA-N- Molecular formula
- C3H3F3N4O4S3
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 311.9268526
Names & identifiers
- Preferred name
- 5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide
- IUPAC
- 5-(trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide
Names & synonyms
144462-46-45-(trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamideCHEMBL140942NSC700705DTXSID803279095-(trifluoromethanesulfonamido)-1,3,4-thiadiazole-2-sulfonamideBDBM50094435AKOS024353373NSC-700705NCI60_036195ST509794655-{[(trifluoromethyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide
Show more names
5-Trifluoromethanesulfonylamino-[1,3,4]thiadiazole-2-sulfonic acid amide
Database identifiers
- CAS
144462-46-4- PubChem CID
- 395814
- DTXSID
DTXSID80327909- ChEMBL
CHEMBL140942- Nikkaji
- J1.446.083G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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