| CAS Number | 1368892-59-4 |
| Catalog Number | AG01BFZZ |
| Chemical Name | 5-chloro-4-methoxy-2-methylbenzene-1-sulfonamide |
| IUPAC Name | 5-chloro-4-methoxy-2-methylbenzenesulfonamide |
| InChI | InChI=1S/C8H10ClNO3S/c1-5-3-7(13-2)6(9)4-8(5)14(10,11)12/h3-4H,1-2H3,(H2,10,11,12) |
| InChI Key | OVOWKPVYVUOEDL-UHFFFAOYSA-N |
| MDL Number | MFCD21891417 |
| Molecular Formula | C8H10ClNO3S |
| Molecular Weight | 235.6879 |
| SMILES | COC1=C(Cl)C=C(S(N)(=O)=O)C(C)=C1 |
| Synonyms | 5-chloro-4-methoxy-2-methylbenzene-1-sulfonamide,
1368892-59-4,
ZINC71546834,
AKOS022548689,
NE25325,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.682g/mol |
| Monoisotopic Mass | 235.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number