| CAS Number | 923799-92-2 |
| Catalog Number | AG019P9N |
| Chemical Name | 2-Chloro-1-[4-[(2,6-difluorophenyl)sulfonyl]-1-piperazinyl]ethanone |
| IUPAC Name | 2-chloro-1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone |
| InChI | InChI=1S/C12H13ClF2N2O3S/c13-8-11(18)16-4-6-17(7-5-16)21(19,20)12-9(14)2-1-3-10(12)15/h1-3H,4-8H2 |
| InChI Key | KNPLACWNGKQKQV-UHFFFAOYSA-N |
| MDL Number | MFCD08444111 |
| Molecular Formula | C12H13ClF2N2O3S |
| Molecular Weight | 338.758 |
| SMILES | O=S(N1CCN(C(CCl)=O)CC1)(C2=C(F)C=CC=C2F)=O |
| Synonyms | 1-(chloroacetyl)-4-[(2,6-difluorophenyl)sulfonyl]piperazine,
923799-92-2,
2-chloro-1-[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one,
AC1Q4MVC,
CTK6H5122,
ZINC9428900,
AKOS001283363,
MCULE-1689360562,
NE13838,
UPCMLD0ENAT5621394:001,
EN300-22862,
J-503529,
2-chloro-1-(4-(2,6-difluorophenylsulfonyl)piperazin-1-yl)ethanone,
2-Chloro-1-(4-((2,6-difluorophenyl)sulfonyl)piperazin-1-yl)ethanone,
2-chloro-1-{4-[(2,6-difluorobenzene)sulfonyl]piperazin-1-yl}ethan-1-one,
923247-91-0,
|
| Complexity | 467 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.754g/mol |
| Monoisotopic Mass | 338.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number