| CAS Number | 923756-84-7 |
| Catalog Number | AG019PAP |
| Chemical Name | 2-Chloro-1-[4-(2-chlorobenzenesulfonyl)piperazin-1-yl]ethan-1-one |
| IUPAC Name | 2-chloro-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone |
| InChI | InChI=1S/C12H14Cl2N2O3S/c13-9-12(17)15-5-7-16(8-6-15)20(18,19)11-4-2-1-3-10(11)14/h1-4H,5-9H2 |
| InChI Key | QSLNLCOVLFALLS-UHFFFAOYSA-N |
| MDL Number | MFCD08444123 |
| Molecular Formula | C12H14Cl2N2O3S |
| Molecular Weight | 337.2222 |
| SMILES | ClCC(N1CCN(S(C2=C(Cl)C=CC=C2)(=O)=O)CC1)=O |
| Synonyms | 2-chloro-1-[4-(2-chlorobenzenesulfonyl)piperazin-1-yl]ethan-1-one,
1-(chloroacetyl)-4-[(2-chlorophenyl)sulfonyl]piperazine,
923756-84-7,
AC1Q3TF3,
CTK6H5146,
ZINC8155951,
AKOS001276268,
MCULE-3058249628,
NE50547,
UPCMLD0ENAT5607903:001,
EN300-23011,
2-chloro-1-(4-(2-chlorophenylsulfonyl)piperazin-1-yl)ethanone,
2-chloro-1-{4-[(2-chlorobenzene)sulfonyl]piperazin-1-yl}ethan-1-one,
ZINC08155951,
CID9291141,
|
| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.215g/mol |
| Monoisotopic Mass | 336.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number