| CAS Number | 1457235-31-2 |
| Catalog Number | AG01BGIP |
| Chemical Name | 6-amino-N-[(2-bromophenyl)methyl]pyridine-3-sulfonamide |
| IUPAC Name | 6-amino-N-[(2-bromophenyl)methyl]pyridine-3-sulfonamide |
| InChI | InChI=1S/C12H12BrN3O2S/c13-11-4-2-1-3-9(11)7-16-19(17,18)10-5-6-12(14)15-8-10/h1-6,8,16H,7H2,(H2,14,15) |
| InChI Key | VGZZDMGORZJZEW-UHFFFAOYSA-N |
| MDL Number | MFCD17035497 |
| Molecular Formula | C12H12BrN3O2S |
| Molecular Weight | 342.2116 |
| SMILES | NC1=NC=C(S(NCC2=C(Br)C=CC=C2)(=O)=O)C=C1 |
| Synonyms | 6-amino-N-[(2-bromophenyl)methyl]pyridine-3-sulfonamide,
1457235-31-2,
ZINC50673685,
AKOS011438221,
Z2310367220,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.211g/mol |
| Monoisotopic Mass | 340.983g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number