2-(2-Fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate
Basic information
- CAS
790723-57-8- Standard SMILES
Cc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccccc2F)cc1- InChIKey
ODUGAHVXMMLNFU-UHFFFAOYSA-N- Molecular formula
- C17H18FNO5S
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.08897201
Names & identifiers
- Preferred name
- 2-(2-Fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate
- IUPAC
- 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate
Names & synonyms
2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetateMLS002251134CHEMBL1595032DTXSID401322409HMS3056K15AKOS033663164790723-57-8SMR001313568SR-01000059183SR-01000059183-1Z191536062-(2-Fluorophenoxy)ethyl N-(4-methylbenzene-1-sulfonyl)glycinate
Database identifiers
- CAS
790723-57-8- PubChem CID
- 2528367
- DTXSID
DTXSID401322409- ChEMBL
CHEMBL1595032
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
Experimental & physicochemical properties
Solubility21.5 [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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