| CAS Number | 1341641-01-7 |
| Catalog Number | AG01B8FV(AGN-PC-0WOEFY) |
| Chemical Name | 2-methoxy-3,5-dimethylbenzene-1-sulfonamide |
| IUPAC Name | 2-methoxy-3,5-dimethylbenzenesulfonamide |
| InChI | InChI=1S/C9H13NO3S/c1-6-4-7(2)9(13-3)8(5-6)14(10,11)12/h4-5H,1-3H3,(H2,10,11,12) |
| InChI Key | AQMJTBIZZKDTJR-UHFFFAOYSA-N |
| MDL Number | MFCD19673807 |
| Molecular Formula | C9H13NO3S |
| Molecular Weight | 215.2694 |
| SMILES | COC1=C(S(N)(=O)=O)C=C(C)C=C1C |
| Synonyms | 2-methoxy-3,5-dimethylbenzene-1-sulfonamide,
1341641-01-7,
ZINC70042711,
AKOS013512700,
Z1993522753,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.267g/mol |
| Monoisotopic Mass | 215.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number