| CAS Number | 60987-21-5 |
| Catalog Number | AG01BFUO(AGN-PC-0NQNIR) |
| Chemical Name | 4,5-Dimethoxy-2-methylbenzene-1-sulfonamide |
| IUPAC Name | 4,5-dimethoxy-2-methylbenzenesulfonamide |
| InChI | InChI=1S/C9H13NO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3,(H2,10,11,12) |
| InChI Key | ILIDHKYQCNECHQ-UHFFFAOYSA-N |
| MDL Number | MFCD11647571 |
| Molecular Formula | C9H13NO4S |
| Molecular Weight | 231.2688 |
| SMILES | COC1=C(OC)C=C(S(N)(=O)=O)C(C)=C1 |
| Synonyms | 4,5-dimethoxy-2-methylbenzene-1-sulfonamide,
60987-21-5,
SCHEMBL11715302,
ILIDHKYQCNECHQ-UHFFFAOYSA-N,
ZINC27942617,
AKOS009243411,
MCULE-9988769689,
NE41713,
2-methyl-4,5-dimethoxy-benzene sulfonamide,
Z353972990,
4,5-dimethoxy-2-methylbenzenesulfonamide,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.266g/mol |
| Monoisotopic Mass | 231.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number