| CAS Number | 1159977-36-2 |
| Catalog Number | AG008WQW(AGN-PC-0WBM0Q) |
| Chemical Name | N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(2-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide |
| IUPAC Name | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide |
| InChI | InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)15-5-3-2-4-14(15)19)16(25)24-12-7-6-11(9-23)13(8-12)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) |
| InChI Key | YIUWHKCCUUFPGY-UHFFFAOYSA-N |
| MDL Number | MFCD28898396 |
| Molecular Formula | C18H14F4N2O4S |
| Molecular Weight | 430.3734 |
| SMILES | CC(CS(=O)(=O)c1ccccc1F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O |
| Synonyms | 2-Fluoro-4-desfluoro Bicalutamide,
1159977-36-2,
2-Fluorobicalutamide,
N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((2-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide,
2-Fluoro bicalutamide,
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(2-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide,
SCHEMBL7187827,
CTK8F4259,
MFCD28898396,
STL450964,
2-?Fluoro-?4-?desfluoro bicalutamide,
AKOS025149218,
AS-35213,
N-[3-(Trifluoromethyl)-4-cyanophenyl]-2-hydroxy-2-[(2-fluorophenylsulfonyl)methyl]propionamide,
N-[4-Cyano-3-trifluoromethyl)phenyl]-3-[(2-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide,
UNII-R1DYX669ZK,
Bicalutamide EP Impurity B,
R1DYX669ZK,
CS-O-07359,
|
| Complexity | 758 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.374g/mol |
| Monoisotopic Mass | 430.061g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number