| CAS Number | 380341-80-0 |
| Catalog Number | AG019GLL |
| Chemical Name | 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C15H13Cl2NO5S/c1-2-23-10-5-3-9(4-6-10)18-24(21,22)14-7-11(15(19)20)12(16)8-13(14)17/h3-8,18H,2H2,1H3,(H,19,20) |
| InChI Key | UBECYVCXPYMEHH-UHFFFAOYSA-N |
| MDL Number | MFCD02725159 |
| Molecular Formula | C15H13Cl2NO5S |
| Molecular Weight | 390.2384 |
| SMILES | CCOC1=CC=C(NS(C2=C(Cl)C=C(Cl)C(C(O)=O)=C2)(=O)=O)C=C1 |
| Synonyms | 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic Acid,
380341-80-0,
2,4-Dichloro-5-(4-ethoxy-phenylsulfamoyl)-benzoic acid,
AC1M69AB,
AC1Q37SU,
Oprea1_803546,
CTK6G2191,
ZINC3251843,
AKOS000115023,
NE12269,
EN300-00494,
SR-01000031837,
SR-01000031837-1,
Z45631533,
CID2368808,
|
| Complexity | 531 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.231g/mol |
| Monoisotopic Mass | 388.989g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number