| CAS Number | 722491-33-0 |
| Catalog Number | AG019IYW |
| Chemical Name | 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-chloroethan-1-one |
| IUPAC Name | 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-chloroethanone |
| InChI | InChI=1S/C12H15ClN2O3S/c13-10-12(16)14-6-8-15(9-7-14)19(17,18)11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChI Key | TYOQEDJEURTNRB-UHFFFAOYSA-N |
| MDL Number | MFCD04116862 |
| Molecular Formula | C12H15ClN2O3S |
| Molecular Weight | 302.7771 |
| SMILES | ClCC(N1CCN(S(C2=CC=CC=C2)(=O)=O)CC1)=O |
| Synonyms | 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-chloroethan-1-one,
1-(chloroacetyl)-4-(phenylsulfonyl)piperazine,
722491-33-0,
AC1M0L8R,
AC1Q3TF6,
SCHEMBL20300422,
CTK6H5144,
ZINC2457848,
AKOS001042098,
MCULE-7671687983,
NE12830,
EN300-08172,
SR-01000046965,
SR-01000046965-1,
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-chloroethanone,
ZINC02457848,
CID2052038,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.773g/mol |
| Monoisotopic Mass | 302.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number