| CAS Number | 928001-88-1 |
| Catalog Number | AG019VVL |
| Chemical Name | 4-amino-N-[(4-chlorophenyl)methyl]benzene-1-sulfonamide |
| IUPAC Name | 4-amino-N-[(4-chlorophenyl)methyl]benzenesulfonamide |
| InChI | InChI=1S/C13H13ClN2O2S/c14-11-3-1-10(2-4-11)9-16-19(17,18)13-7-5-12(15)6-8-13/h1-8,16H,9,15H2 |
| InChI Key | SWVGTNYFDHQAOW-UHFFFAOYSA-N |
| MDL Number | MFCD08164713 |
| Molecular Formula | C13H13ClN2O2S |
| Molecular Weight | 296.7725 |
| SMILES | NC1=CC=C(S(NCC2=CC=C(Cl)C=C2)(=O)=O)C=C1 |
| Synonyms | 4-amino-N-[(4-chlorophenyl)methyl]benzene-1-sulfonamide,
928001-88-1,
CHEMBL1797557,
CTK7D7935,
ZINC8019832,
AKOS002674168,
MCULE-2960978379,
NE29626,
EN300-49635,
N-(4-Chlorobenzyl)-4-aminobenzenesulfonamide,
Z607822430,
AC1PLDX4,
AC1Q51XY,
ZINC08019832,
CID9150144,
4-amino-N-[(4-chlorophenyl)methyl]benzenesulfonamide,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.038627g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.77g/mol |
| Monoisotopic Mass | 296.038627g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number