1- [4- (1- Piperazinylsulfonyl) phenyl] ethanone Hydrochloride - CAS 1049756-81-1
Catalog: |
BB058406 |
Product Name: |
1- [4- (1- Piperazinylsulfonyl) phenyl] ethanone Hydrochloride |
CAS: |
1049756-81-1 |
Synonyms: |
1-[4-(piperazine-1-sulfonyl)phenyl]ethan-1-one hydrochloride; 1-[4-(piperazin-1-ylsulfonyl)phenyl]ethanone hydrochloride; 1-(4-piperazin-1-ylsulfonylphenyl)ethanone; hydrochloride |
IUPAC Name: | 1-(4-piperazin-1-ylsulfonylphenyl)ethanonehydrochloride |
Description: | 1- [4- (1- Piperazinylsulfonyl) phenyl] ethanone Hydrochloride is used in preparation of heterocyclyl-substituted purine derivatives as inhibitors of PI3k-delta for the treatment of cancer. |
Molecular Weight: | 268.33 + (36.46) |
Molecular Formula: | C12H16N2O3S·HCl |
Canonical SMILES: | CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2.Cl |
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,6-9H2,1H31H |
InChI Key: | IZUJYVDNJPGALP-UHFFFAOYSA-N |
Melting Point: | >200oC (dec.) |
Solubility: | DMSO (Slightly), Water (Slightly) |
Appearance: | Off White to Pale Yellow Solid |
Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
References: | Patrick, K., et al. PCT Int. Appl., (2012). |
Complexity: | 388 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.0648413 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.0648413 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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