Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(C(O)C(CF)NC(=O)C(Cl)Cl)cc1- InChIKey
AYIRNRDRBQJXIF-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2FNO4S
- Average molar mass
- 358.2 g/mol
- Monoisotopic mass
- 357.0004627
Names & identifiers
- Preferred name
- 2,2-Dichloro-N-(3-fluoro-1-hydroxy-1-(4-(methanesulfonyl)phenyl)propan-2-yl)acetamide
- IUPAC
- 2,2-dichloro-N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
Names & synonyms
DTXSID908609582,2-Dichloro-N-(3-fluoro-1-hydroxy-1-(4-(methanesulfonyl)phenyl)propan-2-yl)acetamide2,2-Dichloro-N-{3-fluoro-1-hydroxy-1-[4-(methanesulfonyl)phenyl]propan-2-yl}acetamideRefChem:1059074DTXCID80209953MFCD197055852,2-dichloro-N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide887574-74-52,2-dichloro-N-{3-fluoro-1-hydroxy-1-[4-(methylsulfonyl)phenyl]propan-2-yl}acetamide2,2-Dichloro-N-(3-fluoro-1-hydroxy-1-(4-(methylsulfonyl)phenyl)propan-2-yl)acetamideC12H14Cl2FNO4SAquafen
Show more names
SCHEMBL6517702,2-Dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)-2-propyl]acetamide2,2-Dichloro-N-[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]acetamideD-(-)-threo-2-Dichloroacetamido-3-fluoro-1-(4-methylsulfonylphenyl)-1-propanolHMS3371L21HMS3652H11HMS5082H10NND40085
Database identifiers
- PubChem CID
- 5201447
- DTXSID
DTXSID90860958
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 447
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals -> Antiinfectives for systemic use -> Antibiotics
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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