| CAS Number | 1049756-81-1 |
| Catalog Number | AG019JQC |
| Chemical Name | 1-[4-(Piperazin-1-ylsulfonyl)phenyl]ethanone hydrochloride |
| IUPAC Name | 1-(4-piperazin-1-ylsulfonylphenyl)ethanone;hydrochloride |
| InChI | InChI=1S/C12H16N2O3S.ClH/c1-10(15)11-2-4-12(5-3-11)18(16,17)14-8-6-13-7-9-14;/h2-5,13H,6-9H2,1H3;1H |
| InChI Key | IZUJYVDNJPGALP-UHFFFAOYSA-N |
| MDL Number | MFCD07288191 |
| Molecular Formula | C12H17ClN2O3S |
| Molecular Weight | 304.7930 |
| SMILES | Cl.CC(C1=CC=C(S(N2CCNCC2)(=O)=O)C=C1)=O |
| Synonyms | 1-[4-(piperazine-1-sulfonyl)phenyl]ethan-1-one hydrochloride,
1049756-81-1,
1-[4-(piperazin-1-ylsulfonyl)phenyl]ethanone hydrochloride,
AC1Q38XY,
MLS000776419,
CHEMBL1612910,
CTK5J9668,
AKOS008967675,
MCULE-3100338232,
NE26602,
SMR000371375,
EN300-10121,
SR-01000054258,
SR-01000054258-1,
Z56995164,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.789g/mol |
| Monoisotopic Mass | 304.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number