| CAS Number | 250266-51-4 |
| Catalog Number | AG00C4II(AGN-PC-0WNNXJ) |
| Chemical Name | N-[4-[2-(Propylamino)ethyl)phenyl]-4-(trifluoromethoxy)-benzenesulfonamidehydrochloride |
| IUPAC Name | N-[4-[2-(propylamino)ethyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide |
| InChI | InChI=1S/C18H21F3N2O3S/c1-2-12-22-13-11-14-3-5-15(6-4-14)23-27(24,25)17-9-7-16(8-10-17)26-18(19,20)21/h3-10,22-23H,2,11-13H2,1H3 |
| InChI Key | JGGQWSXZZQPZTR-UHFFFAOYSA-N |
| MDL Number | MFCD11040813 |
| Molecular Formula | C18H21F3N2O3S |
| Molecular Weight | 402.4312 |
| SMILES | C(CC)NCCC1=CC=C(C=C1)NS(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F |
| Synonyms | 250266-51-4,
N-(4-(2-(propylamino)ethyl)phenyl)-4-(trifluoromethoxy)benzenesulfonamide,
SCHEMBL7206707,
CHEMBL1697690,
JGGQWSXZZQPZTR-UHFFFAOYSA-N,
ZINC2008038,
PNU-177864,
NCGC00370893-01,
L019239,
2-[4-(4-trifluoromethoxybenzenesulfonamido)phenyl]ethyl-1-propylamine,
PNU 177864 HYDROCHLORIDE,
CID9887351,
N-[4-(2-propylaminoethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide,
|
| Complexity | 521 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.432g/mol |
| Monoisotopic Mass | 402.122g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number