| CAS Number | 114500-28-6 |
| Catalog Number | AG019H41(AGN-PC-0KTK1A) |
| Chemical Name | 5-amino-N-(4-bromophenyl)-2-methylbenzene-1-sulfonamide |
| IUPAC Name | 5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide |
| InChI | InChI=1S/C13H13BrN2O2S/c1-9-2-5-11(15)8-13(9)19(17,18)16-12-6-3-10(14)4-7-12/h2-8,16H,15H2,1H3 |
| InChI Key | RGSDPGCFYYLDEX-UHFFFAOYSA-N |
| MDL Number | MFCD03148420 |
| Molecular Formula | C13H13BrN2O2S |
| Molecular Weight | 341.2235 |
| SMILES | CC1=C(S(NC2=CC=C(Br)C=C2)(=O)=O)C=C(N)C=C1 |
| Synonyms | 5-amino-N-(4-bromophenyl)-2-methylbenzene-1-sulfonamide,
114500-28-6,
5-Amino-N-(4-bromo-phenyl)-2-methyl-benzenesulfonamide,
AC1MPP5F,
AC1Q2EFT,
CTK5I7593,
ZINC3885515,
AKOS000116042,
MCULE-9153018916,
NE12364,
EN300-02479,
SR-01000030522,
SR-01000030522-1,
5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide,
Z56804670,
ZINC03885515,
CID3388855,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.223g/mol |
| Monoisotopic Mass | 339.988g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number