| CAS Number | 325721-47-9 |
| Catalog Number | AG019GLE |
| Chemical Name | 3-(4-Methoxy-phenylsulfamoyl)-4-methyl-benzoic acid |
| IUPAC Name | 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid |
| InChI | InChI=1S/C15H15NO5S/c1-10-3-4-11(15(17)18)9-14(10)22(19,20)16-12-5-7-13(21-2)8-6-12/h3-9,16H,1-2H3,(H,17,18) |
| InChI Key | DZAQEXJIYVGGBH-UHFFFAOYSA-N |
| MDL Number | MFCD02711529 |
| Molecular Formula | C15H15NO5S |
| Molecular Weight | 321.3483 |
| SMILES | COc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)C(=O)O |
| Synonyms | 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid,
325721-47-9,
3-(4-Methoxy-phenylsulfamoyl)-4-methyl-benzoic acid,
SMR000060820,
AC1M5HX2,
AC1Q4DG3,
Oprea1_096166,
MLS000054470,
CHEMBL1548191,
CTK7A4939,
HMS2497A07,
ZINC3208121,
AKOS000114998,
MCULE-3862524061,
NE24551,
EN300-00486,
Z56799341,
CID2329148,
|
| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.347g/mol |
| Monoisotopic Mass | 321.067g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number