| CAS Number | 112940-54-2 |
| Catalog Number | AG01A3UL(AGN-PC-0P46HK) |
| Chemical Name | N-[4-(piperazin-1-yl)phenyl]methanesulfonamide hydrochloride |
| IUPAC Name | N-(4-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride |
| InChI | InChI=1S/C11H17N3O2S.ClH/c1-17(15,16)13-10-2-4-11(5-3-10)14-8-6-12-7-9-14;/h2-5,12-13H,6-9H2,1H3;1H |
| InChI Key | XTCHLADGBZLOCT-UHFFFAOYSA-N |
| MDL Number | MFCD22048034 |
| Molecular Formula | C11H18ClN3O2S |
| Molecular Weight | 291.7975 |
| SMILES | Cl.CS(NC1=CC=C(N2CCNCC2)C=C1)(=O)=O |
| Synonyms | N-[4-(piperazin-1-yl)phenyl]methanesulfonamide hydrochloride,
112940-54-2,
SCHEMBL7001932,
XTCHLADGBZLOCT-UHFFFAOYSA-N,
NE36501,
1-(4-Methanesulphonamidophenyl)piperazine hydrochloride,
N-[(4-piperazin-1-yl)phenyl]methanesulphonamide hydrochloride,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.794g/mol |
| Monoisotopic Mass | 291.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number