| CAS Number | 522606-36-6 |
| Catalog Number | AG019H9J |
| Chemical Name | 5-amino-N-(2-bromo-5-methylphenyl)-2-chlorobenzene-1-sulfonamide |
| IUPAC Name | 5-amino-N-(2-bromo-5-methylphenyl)-2-chlorobenzenesulfonamide |
| InChI | InChI=1S/C13H12BrClN2O2S/c1-8-2-4-10(14)12(6-8)17-20(18,19)13-7-9(16)3-5-11(13)15/h2-7,17H,16H2,1H3 |
| InChI Key | LDISQJQGSJXSLZ-UHFFFAOYSA-N |
| MDL Number | MFCD03483848 |
| Molecular Formula | C13H12BrClN2O2S |
| Molecular Weight | 375.6686 |
| SMILES | CC1=CC(NS(C2=C(Cl)C=CC(N)=C2)(=O)=O)=C(Br)C=C1 |
| Synonyms | 5-amino-N-(2-bromo-5-methylphenyl)-2-chlorobenzene-1-sulfonamide,
522606-36-6,
5-amino-N-(2-bromo-5-methyl-phenyl)-2-chloro-benzenesulfonamide,
AC1MXXNS,
AC1Q2J5F,
CTK6B7158,
ZINC3885703,
AKOS017268905,
MCULE-6553066026,
NE12512,
EN300-02963,
SR-01000034697,
SR-01000034697-1,
Z56844951,
5-amino-N-(2-bromo-5-methylphenyl)-2-chlorobenzenesulfonamide,
CID3773027,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.665g/mol |
| Monoisotopic Mass | 373.949g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number