Basic information
- CAS
757192-59-9- Standard SMILES
Cc1nnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)s1- InChIKey
HINBYMHJOFSGSY-UHFFFAOYSA-N- Molecular formula
- C14H15FN4O4S2
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.05187548
Names & identifiers
- Preferred name
- 4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
- IUPAC
- 4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
Names & synonyms
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamideMLS002252093CHEMBL1529619DTXSID201323120HMS3090H11AKOS034103809757192-59-9SMR001314442Z296728874-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-sulfonyl)benzamide
Database identifiers
- CAS
757192-59-9- PubChem CID
- 2125285
- DTXSID
DTXSID201323120- ChEMBL
CHEMBL1529619
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 582
Experimental & physicochemical properties
Solubility42.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…