| CAS Number | 325721-18-4 |
| Catalog Number | AG019GLD |
| Chemical Name | 3-[(4-ethoxyphenyl)sulfamoyl]benzoic Acid |
| IUPAC Name | 3-[(4-ethoxyphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C15H15NO5S/c1-2-21-13-8-6-12(7-9-13)16-22(19,20)14-5-3-4-11(10-14)15(17)18/h3-10,16H,2H2,1H3,(H,17,18) |
| InChI Key | AMUDGRXNCHTVTA-UHFFFAOYSA-N |
| MDL Number | MFCD01417116 |
| Molecular Formula | C15H15NO5S |
| Molecular Weight | 321.3483 |
| SMILES | CCOC1=CC=C(NS(C2=CC(C(O)=O)=CC=C2)(=O)=O)C=C1 |
| Synonyms | 3-[(4-ethoxyphenyl)sulfamoyl]benzoic Acid,
3-(4-Ethoxy-phenylsulfamoyl)-benzoic acid,
325721-18-4,
AC1M5HU2,
AC1Q37SR,
Oprea1_118068,
CTK6G2203,
ZINC3208031,
AKOS000114991,
MCULE-7090735878,
NE11860,
EN300-00485,
CID2329106,
|
| Complexity | 465 |
| 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 | 6 |
| 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