| CAS Number | 438031-73-3 |
| Catalog Number | AG019H76 |
| Chemical Name | 5-amino-N-(4-iodophenyl)-2-methoxybenzene-1-sulfonamide |
| IUPAC Name | 5-amino-N-(4-iodophenyl)-2-methoxybenzenesulfonamide |
| InChI | InChI=1S/C13H13IN2O3S/c1-19-12-7-4-10(15)8-13(12)20(17,18)16-11-5-2-9(14)3-6-11/h2-8,16H,15H2,1H3 |
| InChI Key | PMHCGESRDLKAEK-UHFFFAOYSA-N |
| MDL Number | MFCD03478378 |
| Molecular Formula | C13H13IN2O3S |
| Molecular Weight | 404.2234 |
| SMILES | COC1=C(S(NC2=CC=C(I)C=C2)(=O)=O)C=C(N)C=C1 |
| Synonyms | 5-amino-N-(4-iodophenyl)-2-methoxybenzene-1-sulfonamide,
438031-73-3,
5-Amino-N-(4-iodo-phenyl)-2-methoxy-benzenesulfonamide,
AC1MWOR0,
AC1Q44WI,
CTK7A7519,
ZINC3885625,
AKOS000116072,
MCULE-9905073259,
NE12498,
EN300-02775,
5-amino-N-(4-iodophenyl)-2-methoxybenzenesulfonamide,
Z56837150,
ZINC03885625,
CID3802649,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.222g/mol |
| Monoisotopic Mass | 403.969g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number