| CAS Number | 51765-72-1 |
| Catalog Number | AG00DEUD(AGN-PC-0WOMY6) |
| Chemical Name | (2R,5S)-2,5-Bis(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate |
| IUPAC Name | N-methylsulfonyl-N-(4-nitro-2-phenoxyphenyl)methanesulfonamide |
| InChI | InChI=1S/C14H14N2O7S2/c1-24(19,20)16(25(2,21)22)13-9-8-11(15(17)18)10-14(13)23-12-6-4-3-5-7-12/h3-10H,1-2H3 |
| InChI Key | DGTALLPFLVLCNQ-UHFFFAOYSA-N |
| MDL Number | MFCD19705037 |
| Molecular Formula | C14H14N2O7S2 |
| Molecular Weight | 386.4002 |
| SMILES | O=N(=O)C1=CC=C(C(OC=2C=CC=CC2)=C1)N(S(=O)(=O)C)S(=O)(=O)C |
| Synonyms | 51765-72-1,
Nimesulide Impurity F,
N-Methylsulfonyl Nimesulide,
ZINC83291254,
FT-0672184,
J3.617.600H,
N,N-Bis(methylsulphonyl)-4-nitro-2-phenoxyaniline,
N-methylsulfonyl-N-(4-nitro-2-phenoxyphenyl)methanesulfonamide,
N-(Methylsulfonyl)-N-(4-nitro-2-phenoxyphenyl)methanesulfonamide,
|
| Complexity | 637 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.393g/mol |
| Monoisotopic Mass | 386.024g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 143A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number