| CAS Number | 438031-87-9 |
| Catalog Number | AG019GO0 |
| Chemical Name | 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C15H14ClNO5S/c1-2-22-12-6-4-11(5-7-12)17-23(20,21)14-9-10(15(18)19)3-8-13(14)16/h3-9,17H,2H2,1H3,(H,18,19) |
| InChI Key | CEXKOJCWOWNCGM-UHFFFAOYSA-N |
| MDL Number | MFCD03478383 |
| Molecular Formula | C15H14ClNO5S |
| Molecular Weight | 355.7934 |
| SMILES | CCOc1ccc(cc1)NS(=O)(=O)c1cc(ccc1Cl)C(=O)O |
| Synonyms | 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzoic Acid,
438031-87-9,
4-Chloro-3-(4-ethoxy-phenylsulfamoyl)-benzoic acid,
AC1NLW9R,
AC1Q37SN,
Oprea1_050005,
CTK6G2193,
ZINC3884893,
AKOS000114856,
MCULE-6352578572,
NE12500,
EN300-00625,
Z45631523,
CID4991549,
|
| Complexity | 499 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.789g/mol |
| Monoisotopic Mass | 355.028g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number