| CAS Number | 926249-52-7 |
| Catalog Number | AG019OYQ |
| Chemical Name | 2-Methyl-5-(methylsulfamoyl)benzoic acid |
| IUPAC Name | 2-methyl-5-(methylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C9H11NO4S/c1-6-3-4-7(15(13,14)10-2)5-8(6)9(11)12/h3-5,10H,1-2H3,(H,11,12) |
| InChI Key | FQWJLMDMQRESMA-UHFFFAOYSA-N |
| MDL Number | MFCD09041327 |
| Molecular Formula | C9H11NO4S |
| Molecular Weight | 229.2529 |
| SMILES | CNS(C1=CC(C(O)=O)=C(C)C=C1)(=O)=O |
| Synonyms | 2-methyl-5-(methylsulfamoyl)benzoic acid,
2-methyl-5-[(methylamino)sulfonyl]benzoic acid,
926249-52-7,
AC1Q41CO,
SCHEMBL19119211,
CTK6I5764,
ZINC12504801,
AKOS000123870,
MCULE-5633475816,
EN300-16252,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.25g/mol |
| Monoisotopic Mass | 229.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number