| CAS Number | 379729-79-0 |
| Catalog Number | AG019GNG |
| Chemical Name | 4-Chloro-3-(5-chloro-2,4-dimethoxy-phenylsulfamoyl)-benzoic acid |
| IUPAC Name | 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C15H13Cl2NO6S/c1-23-12-7-13(24-2)11(6-10(12)17)18-25(21,22)14-5-8(15(19)20)3-4-9(14)16/h3-7,18H,1-2H3,(H,19,20) |
| InChI Key | BIUWYBFALMYJQC-UHFFFAOYSA-N |
| MDL Number | MFCD03152801 |
| Molecular Formula | C15H13Cl2NO6S |
| Molecular Weight | 406.2378 |
| SMILES | COC1=C(Cl)C=C(NS(C2=C(Cl)C=CC(C(O)=O)=C2)(=O)=O)C(OC)=C1 |
| Synonyms | 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoic acid,
379729-79-0,
4-Chloro-3-(5-chloro-2,4-dimethoxy-phenylsulfamoyl)-benzoic acid,
AC1M6BCQ,
AC1Q491P,
CTK6J9078,
ZINC3227346,
AKOS000114965,
MCULE-5524458794,
NE12417,
EN300-00595,
Z45577343,
CID2345535,
4-chloro-3-[(5-chloro-2,4-dimethoxy-phenyl)sulfamoyl]benzoic Acid,
|
| Complexity | 569 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 404.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.23g/mol |
| Monoisotopic Mass | 404.984g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number