3-Fluoro-4-[(1,2,4-thiadiazol-5-ylamino)sulfonyl]benzoic acid
Basic information
- Standard SMILES
O=C(O)c1ccc(S(=O)(=O)Nc2ncns2)c(F)c1- InChIKey
ZMQKHXVDSKIBBR-UHFFFAOYSA-N- Molecular formula
- C9H6FN3O4S2
- Average molar mass
- 303.3 g/mol
Names & identifiers
- Preferred name
- 3-Fluoro-4-[(1,2,4-thiadiazol-5-ylamino)sulfonyl]benzoic acid
- IUPAC
- 3-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)benzoic acid
Names & synonyms
SCHEMBL3172133ZMQKHXVDSKIBBR-UHFFFAOYSA-N3-Fluoro-4-[(1,2,4-thiadiazol-5-ylamino)sulfonyl]benzoic acid
Database identifiers
- PubChem CID
- 57732064
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 441
Related reactions
3 records
Compound notes
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