| CAS Number | 953895-19-7 |
| Catalog Number | AG019NF3 |
| Chemical Name | 4-amino-N-{1-azabicyclo[2.2.2]octan-3-yl}benzene-1-sulfonamide |
| IUPAC Name | 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)benzenesulfonamide |
| InChI | InChI=1S/C13H19N3O2S/c14-11-1-3-12(4-2-11)19(17,18)15-13-9-16-7-5-10(13)6-8-16/h1-4,10,13,15H,5-9,14H2 |
| InChI Key | OZKIEZRLGUKZIY-UHFFFAOYSA-N |
| MDL Number | MFCD09727794 |
| Molecular Formula | C13H19N3O2S |
| Molecular Weight | 281.3739 |
| SMILES | NC1=CC=C(S(NC2C3CCN(CC3)C2)(=O)=O)C=C1 |
| Synonyms | 4-amino-N-{1-azabicyclo[2.2.2]octan-3-yl}benzene-1-sulfonamide,
953895-19-7,
4-amino-N-1-azabicyclo[2.2.2]oct-3-ylbenzenesulfonamide,
AC1Q51XW,
CTK7D7925,
AKOS000137132,
MCULE-2345783864,
NE26298,
EN300-40233,
AB01001379-01,
Z415636698,
Benzenesulfonamide, 4-amino-N-1-azabicyclo[2.2.2]oct-3-yl,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.374g/mol |
| Monoisotopic Mass | 281.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number