| CAS Number | 380569-63-1 |
| Catalog Number | AG019H8G |
| Chemical Name | 3-amino-N-(2-bromo-5-methylphenyl)benzene-1-sulfonamide |
| IUPAC Name | 3-amino-N-(2-bromo-5-methylphenyl)benzenesulfonamide |
| InChI | InChI=1S/C13H13BrN2O2S/c1-9-5-6-12(14)13(7-9)16-19(17,18)11-4-2-3-10(15)8-11/h2-8,16H,15H2,1H3 |
| InChI Key | PXDRGEJMBMBOGC-UHFFFAOYSA-N |
| MDL Number | MFCD03478178 |
| Molecular Formula | C13H13BrN2O2S |
| Molecular Weight | 341.2235 |
| SMILES | CC1=CC(NS(C2=CC(N)=CC=C2)(=O)=O)=C(Br)C=C1 |
| Synonyms | 3-amino-N-(2-bromo-5-methylphenyl)benzene-1-sulfonamide,
380569-63-1,
3-Amino-N-(2-bromo-5-methyl-phenyl)-benzenesulfonamide,
AC1NPCN2,
AC1Q2J68,
CTK6B7163,
ZINC3885676,
AKOS000115968,
MCULE-3542424409,
NE12483,
EN300-02868,
SR-01000033714,
SR-01000033714-1,
3-amino-N-(2-bromo-5-methylphenyl)benzenesulfonamide,
Z56836802,
ZINC03885676,
CID5176868,
|
| Complexity | 396 |
| 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