| CAS Number | 879319-23-0 |
| Catalog Number | AG019PA6 |
| Chemical Name | 1-[4-(4-Acetylbenzenesulfonyl)piperazin-1-yl]-2-chloroethan-1-one |
| IUPAC Name | 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-chloroethanone |
| InChI | InChI=1S/C14H17ClN2O4S/c1-11(18)12-2-4-13(5-3-12)22(20,21)17-8-6-16(7-9-17)14(19)10-15/h2-5H,6-10H2,1H3 |
| InChI Key | YZUSWKLRHVBLTM-UHFFFAOYSA-N |
| MDL Number | MFCD08444116 |
| Molecular Formula | C14H17ClN2O4S |
| Molecular Weight | 344.8138 |
| SMILES | CC(C1=CC=C(S(N2CCN(C(CCl)=O)CC2)(=O)=O)C=C1)=O |
| Synonyms | 879319-23-0,
1-[4-(4-acetylbenzenesulfonyl)piperazin-1-yl]-2-chloroethan-1-one,
1-(4-[[4-(Chloroacetyl)piperazin-1-yl]sulfonyl]phenyl)ethanone,
1-(4-{[4-(chloroacetyl)piperazin-1-yl]sulfonyl}phenyl)ethanone,
1-(4-(4-acetylphenylsulfonyl)piperazin-1-yl)-2-chloroethanone,
1-[4-(4-acetylphenylsulfonyl)piperazin-1-yl]-2-chloroethanone,
AC1Q1JPN,
CTK6H5131,
ZINC9156387,
MFCD08444116,
AKOS030644878,
MCULE-7730590963,
NE36336,
UPCMLD0ENAT5568702:001,
EN300-22958,
1-[4-(4-acetylbenzenesulfonyl)piperazin-1-yl]-2-chloroethanone,
|
| Complexity | 516 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.81g/mol |
| Monoisotopic Mass | 344.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number