| CAS Number | 358665-54-0 |
| Catalog Number | AG00CMHA(AGN-PC-0WCSFJ) |
| Chemical Name | 3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide |
| IUPAC Name | 3-bromo-4-methoxy-N-methylbenzenesulfonamide |
| InChI | InChI=1S/C8H10BrNO3S/c1-10-14(11,12)6-3-4-8(13-2)7(9)5-6/h3-5,10H,1-2H3 |
| InChI Key | UCLZQLJVIIOZHG-UHFFFAOYSA-N |
| MDL Number | MFCD02135253 |
| Molecular Formula | C8H10BrNO3S |
| Molecular Weight | 280.1389 |
| SMILES | CNS(C1=CC(Br)=C(OC)C=C1)(=O)=O |
| Synonyms | 3-bromo-4-methoxy-N-methylbenzenesulfonamide,
358665-54-0,
3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide,
SCHEMBL4926851,
UCLZQLJVIIOZHG-UHFFFAOYSA-N,
MFCD02135253,
ZINC19828975,
AKOS005237453,
AM86897,
NE26328,
EN300-79205,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.136g/mol |
| Monoisotopic Mass | 278.956g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number