| CAS Number | 105037-43-2 |
| Catalog Number | AG019LAM(AGN-PC-00MYY4) |
| Chemical Name | 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1-sulfonamide |
| IUPAC Name | 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide |
| InChI | InChI=1S/C13H21N3O2S/c1-2-16-9-3-4-12(16)10-15-19(17,18)13-7-5-11(14)6-8-13/h5-8,12,15H,2-4,9-10,14H2,1H3 |
| InChI Key | XWUHLWBFLJYXIV-UHFFFAOYSA-N |
| MDL Number | MFCD08445004 |
| Molecular Formula | C13H21N3O2S |
| Molecular Weight | 283.3897 |
| SMILES | CCN1C(CNS(C2=CC=C(N)C=C2)(=O)=O)CCC1 |
| Synonyms | 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide,
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1-sulfonamide,
105037-43-2,
4-amino-N-((1-ethylpyrrolidin-2-yl)methyl)benzenesulfonamide,
AC1Q315N,
SCHEMBL10496019,
CTK6F0085,
XWUHLWBFLJYXIV-UHFFFAOYSA-N,
AKOS000143485,
AKOS016899658,
MCULE-6810316858,
NE18558,
EN300-30621,
4-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]benzenesulphonamide,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.39g/mol |
| Monoisotopic Mass | 283.135g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number