| CAS Number | 406927-71-7 |
| Catalog Number | AG019GL8 |
| Chemical Name | 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C15H14ClNO6S/c1-22-13-8-14(23-2)12(7-11(13)16)17-24(20,21)10-5-3-4-9(6-10)15(18)19/h3-8,17H,1-2H3,(H,18,19) |
| InChI Key | RDZVOBQJNHOKQI-UHFFFAOYSA-N |
| MDL Number | MFCD02712014 |
| Molecular Formula | C15H14ClNO6S |
| Molecular Weight | 371.7928 |
| SMILES | COC1=C(Cl)C=C(NS(C2=CC(C(O)=O)=CC=C2)(=O)=O)C(OC)=C1 |
| Synonyms | 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoic acid,
406927-71-7,
3-(5-Chloro-2,4-dimethoxy-phenylsulfamoyl)-benzoic acid,
AC1M5IQ4,
Oprea1_070896,
AC1Q491R,
CTK6J9082,
ZINC3209111,
AKOS000114916,
MCULE-1052761760,
NE39025,
EN300-00480,
Z45577359,
CID2329635,
3-[(5-chloro-2,4-dimethoxy-phenyl)sulfamoyl]benzoic Acid,
|
| Complexity | 537 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.788g/mol |
| Monoisotopic Mass | 371.023g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number