| CAS Number | 325721-06-0 |
| Catalog Number | AG019GLH |
| Chemical Name | 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C15H15NO4S/c1-10-4-3-5-12(8-10)16-21(19,20)13-7-6-11(2)14(9-13)15(17)18/h3-9,16H,1-2H3,(H,17,18) |
| InChI Key | WDJDIFVXFRWXCU-UHFFFAOYSA-N |
| MDL Number | MFCD02711487 |
| Molecular Formula | C15H15NO4S |
| Molecular Weight | 305.3489 |
| SMILES | Cc1cccc(c1)NS(=O)(=O)c1ccc(c(c1)C(=O)O)C |
| Synonyms | 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoic Acid,
2-Methyl-5-m-tolylsulfamoyl-benzoic acid,
325721-06-0,
AC1M5HTK,
AC1Q2J5J,
Oprea1_475067,
CTK6C1365,
ZINC3208019,
AKOS000115007,
MCULE-4444342909,
NE29081,
EN300-00489,
SR-01000030110,
SR-01000030110-1,
Z45620386,
CID2329097,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.348g/mol |
| Monoisotopic Mass | 305.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number