| CAS Number | 379255-13-7 |
| Catalog Number | AG019H3D |
| Chemical Name | 3-Amino-n-(4-bromo-phenyl)-4-methoxy-benzenesulfonamide |
| IUPAC Name | 3-amino-N-(4-bromophenyl)-4-methoxybenzenesulfonamide |
| InChI | InChI=1S/C13H13BrN2O3S/c1-19-13-7-6-11(8-12(13)15)20(17,18)16-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3 |
| InChI Key | MBAUBAQOBWOYFJ-UHFFFAOYSA-N |
| MDL Number | MFCD03147334 |
| Molecular Formula | C13H13BrN2O3S |
| Molecular Weight | 357.2229 |
| SMILES | COC1=C(N)C=C(S(NC2=CC=C(Br)C=C2)(=O)=O)C=C1 |
| Synonyms | 3-amino-N-(4-bromophenyl)-4-methoxybenzene-1-sulfonamide,
379255-13-7,
3-Amino-N-(4-bromo-phenyl)-4-methoxy-benzenesulfonamide,
AC1MONLO,
AC1Q45N2,
CTK7A6592,
ZINC3885488,
AKOS000115461,
MCULE-1807346670,
NE12355,
EN300-02401,
SR-01000037796,
SR-01000037796-1,
3-amino-N-(4-bromophenyl)-4-methoxybenzenesulfonamide,
Z56869462,
ZINC03885488,
CID3323178,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.222g/mol |
| Monoisotopic Mass | 355.983g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number