2-Pyridinesulfonamide, N-(4-(((6R)-5,6-dihydro-4-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-6-(1-methylethyl)-2-oxo-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)-5-(trifluoromethyl)-
Basic information
- CAS
263842-60-0- Standard SMILES
Cc1cc(SC2C(=O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1- InChIKey
UGGNZJJBVULEDW-ORVUKVHPSA-N- Molecular formula
- C33H39F3N2O6S2
- Average molar mass
- 680.8 g/mol
- Monoisotopic mass
- 680.2201638
Names & identifiers
- Preferred name
- 2-Pyridinesulfonamide, N-(4-(((6R)-5,6-dihydro-4-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-6-(1-methylethyl)-2-oxo-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)-5-(trifluoromethyl)-
- IUPAC
- N-[5-tert-butyl-4-[(6R)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2-oxo-6-propan-2-yloxan-3-yl]sulfanyl-2-methylphenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
Names & synonyms
263842-60-02-Pyridinesulfonamide, N-(4-(((6R)-5,6-dihydro-4-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-6-(1-methylethyl)-2-oxo-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)-5-(trifluoromethyl)-2-Pyridinesulfonamide, N-[4-[[(6R)-5,6-dihydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-(1-methylethyl)-2-oxo-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl]-5-(trifluoromethyl)-N-[5-tert-butyl-4-[(6R)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-isopropyl-2-oxo-tetrahydropyran-3-yl]sulfanyl-2-methyl-phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
Database identifiers
- CAS
263842-60-0- PubChem CID
- 477797
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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