Basic information
- Standard SMILES
CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1- InChIKey
MHIBAPFQSMMVMN-UHFFFAOYSA-N- Molecular formula
- C13H13FN2O4S2
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- Ethyl (2-{[(4-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
- IUPAC
- ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
Names & synonyms
ethyl (2-{[(4-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetateethyl 2-(2-(4-fluorophenylsulfonamido)thiazol-4-yl)acetateethyl 2-(2-{[(4-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetateMLS000573999Oprea1_261029Oprea1_387231CHEMBL1544247SCHEMBL27650147MHIBAPFQSMMVMN-UHFFFAOYSA-NHMS2284F10STK033327AKOS001644000
Show more names
349624-50-6SMR000195586ST50715670AB00111652-01SR-01000476541SR-01000476541-1
Database identifiers
- PubChem CID
- 717529
- ChEMBL
CHEMBL1544247
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 475
Related reactions
2 records
Linked notes
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