Basic information
- CAS
141286-14-8- Standard SMILES
O=C(O)COc1c(F)cc(SCCNS(=O)(=O)c2ccc(Cl)cc2)cc1F- InChIKey
FEYKNJZBWNIWJD-UHFFFAOYSA-N- Molecular formula
- C16H14ClF2NO5S2
- Average molar mass
- 437.9 g/mol
- Monoisotopic mass
- 436.9969989
Names & identifiers
- Preferred name
- ON 579
- IUPAC
- 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]acetic acid
- English name
- ON 579
- Molecular formula
- C16H14ClF2NO5S2
- Molecular weight
- 437.87
Names & synonyms
141286-14-8ON-579ON 579DTXSID70161657RefChem:168237DTXCID50841482-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]acetic acid2-(4-((2-(4-Chlorophenylsulfonamido)ethyl)thio)-2,6-difluorophenoxy)acetic acidAcetic acid, 2-[4-[[2-[[(4-chlorophenyl)sulfonyl]amino]ethyl]thio]-2,6-difluorophenoxy]-CHEMBL312763SCHEMBL2925987EX-A3208
Show more names
4-(2-(4-Chlorophenylsulfonylamino)-ethylthio)-2,6-difluorophenoxyacetic acidL006318(4-{[2-(4-Chlorobenzene-1-sulfonamido)ethyl]sulfanyl}-2,6-difluorophenoxy)acetic acid
Database identifiers
- CAS
141286-14-8- PubChem CID
- 192308
- DTXSID
DTXSID70161657- ChEMBL
CHEMBL312763- Nikkaji
- J663.137A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 572
Physicochemical properties
- Boiling point
- 595 · 595.0±60.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 2.98 · 2.98±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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