| CAS Number | 380341-83-3 |
| Catalog Number | AG019GLN |
| Chemical Name | 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C15H13Cl2NO4S/c1-2-18(10-6-4-3-5-7-10)23(21,22)14-8-11(15(19)20)12(16)9-13(14)17/h3-9H,2H2,1H3,(H,19,20) |
| InChI Key | CORSFTBSWCQVSQ-UHFFFAOYSA-N |
| MDL Number | MFCD02725160 |
| Molecular Formula | C15H13Cl2NO4S |
| Molecular Weight | 374.239 |
| SMILES | CCN(S(=O)(=O)c1cc(C(=O)O)c(cc1Cl)Cl)c1ccccc1 |
| Synonyms | 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid,
380341-83-3,
2,4-Dichloro-5-(ethyl-phenyl-sulfamoyl)-benzoic acid,
AC1Q2YPC,
AC1M69AN,
CTK6E8578,
ZINC3251846,
AKOS000121836,
MCULE-5181482587,
NE35409,
EN300-00497,
SR-01000031838,
SR-01000031838-1,
Z45619773,
CID2368812,
2,4-dichloro-5-(ethyl-phenyl-sulfamoyl)benzoic Acid,
|
| Complexity | 516 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.232g/mol |
| Monoisotopic Mass | 372.994g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number