| CAS Number | 158939-09-4 |
| Catalog Number | AG019P7X |
| Chemical Name | 1-(Chloroacetyl)-4-[(4-fluorophenyl)sulfonyl]piperazine |
| IUPAC Name | 2-chloro-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone |
| InChI | InChI=1S/C12H14ClFN2O3S/c13-9-12(17)15-5-7-16(8-6-15)20(18,19)11-3-1-10(14)2-4-11/h1-4H,5-9H2 |
| InChI Key | NVNPFTFEZGDPTO-UHFFFAOYSA-N |
| MDL Number | MFCD08444097 |
| Molecular Formula | C12H14ClFN2O3S |
| Molecular Weight | 320.7676 |
| SMILES | FC1=CC=C(S(N2CCN(C(CCl)=O)CC2)(=O)=O)C=C1 |
| Synonyms | 2-chloro-1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one,
1-(chloroacetyl)-4-[(4-fluorophenyl)sulfonyl]piperazine,
158939-09-4,
AC1Q4MBD,
CTK6H5133,
ZINC8264214,
AKOS001261185,
MCULE-1871038012,
NE23047,
UPCMLD0ENAT5590536:001,
EN300-22573,
2-chloro-1-(4-(4-fluorophenylsulfonyl)piperazin-1-yl)ethanone,
2-chloro-1-{4-[(4-fluorobenzene)sulfonyl]piperazin-1-yl}ethan-1-one,
ZINC08264214,
CID9391802,
|
| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.763g/mol |
| Monoisotopic Mass | 320.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number