| CAS Number | 1431698-47-3 |
| Catalog Number | AG009BOD |
| Chemical Name | KN-92 HCl |
| IUPAC Name | N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C24H25ClN2O3S.ClH/c1-27(17-5-6-19-9-11-21(25)12-10-19)18-20-7-3-4-8-24(20)26-31(28,29)23-15-13-22(30-2)14-16-23;/h3-16,26H,17-18H2,1-2H3;1H/b6-5+; |
| InChI Key | SHDNWBMPAAXAHM-IPZCTEOASA-N |
| MDL Number | MFCD25372041 |
| Molecular Formula | C24H26Cl2N2O3S |
| Molecular Weight | 493.4458 |
| SMILES | O=S(C1=CC=C(OC)C=C1)(NC2=CC=CC=C2CN(C/C=C/C3=CC=C(Cl)C=C3)C)=O.[H]Cl |
| Synonyms | (2-(N-(4-Methoxybenzenesulfonyl))amino-N-(4-chlorocinnamyl)-N-methylbenzylamine, phosphate),
KN 92,
KN-92,
KN-92 (hydrochloride),
KN-92 hydrochloride,
1431698-47-3,
KN-92 HCL,
N-[2-({[3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-4-methoxybenzene-1-sulfonamide hydrochloride,
KN 92,
KN-92-hydrochloride,
BCP10626,
EX-A2250,
HY-15517B,
MFCD25372041,
AKOS030526531,
CS-1264,
BC600750,
W-6055,
A15138,
|
| Complexity | 650 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 492.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 493.443g/mol |
| Monoisotopic Mass | 492.104g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number