| CAS Number | 1223716-80-0 |
| Catalog Number | AG019Y4Z |
| Chemical Name | N-(4-Amino-2-bromophenyl)-N-methanesulfonylmethanesulfonamide |
| IUPAC Name | N-(4-amino-2-bromophenyl)-N-methylsulfonylmethanesulfonamide |
| InChI | InChI=1S/C8H11BrN2O4S2/c1-16(12,13)11(17(2,14)15)8-4-3-6(10)5-7(8)9/h3-5H,10H2,1-2H3 |
| InChI Key | QHDGUABJZAUFSQ-UHFFFAOYSA-N |
| MDL Number | MFCD14705655 |
| Molecular Formula | C8H11BrN2O4S2 |
| Molecular Weight | 343.2179 |
| SMILES | CS(N(S(C)(=O)=O)C1=C(Br)C=C(N)C=C1)(=O)=O |
| Synonyms | N-(4-amino-2-bromophenyl)-N-methanesulfonylmethanesulfonamide,
1223716-80-0,
CTK7D6112,
ZINC39947530,
AKOS034691960,
MCULE-5716890492,
NE36569,
EN300-57070,
Z910842686,
AC1Q4GN4,
|
| Complexity | 433 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.93436g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.2g/mol |
| Monoisotopic Mass | 341.93436g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 114Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number