| CAS Number | 721418-28-6 |
| Catalog Number | AG019HP2 |
| Chemical Name | 3-{[(4-chlorophenyl)methyl]sulfamoyl}-4-methoxybenzoic acid |
| IUPAC Name | 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid |
| InChI | InChI=1S/C15H14ClNO5S/c1-22-13-7-4-11(15(18)19)8-14(13)23(20,21)17-9-10-2-5-12(16)6-3-10/h2-8,17H,9H2,1H3,(H,18,19) |
| InChI Key | DEIJFDZNLYJJDJ-UHFFFAOYSA-N |
| MDL Number | MFCD03950768 |
| Molecular Formula | C15H14ClNO5S |
| Molecular Weight | 355.7934 |
| SMILES | COC1=C(S(NCC2=CC=C(Cl)C=C2)(=O)=O)C=C(C(O)=O)C=C1 |
| Synonyms | 3-{[(4-chlorophenyl)methyl]sulfamoyl}-4-methoxybenzoic acid,
3-(4-Chloro-benzylsulfamoyl)-4-methoxy-benzoic acid,
721418-28-6,
AC1M6E0G,
AC1Q44TP,
CTK7A7529,
ZINC3280968,
AKOS008022770,
MCULE-6048540981,
NE29459,
EN300-04253,
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid,
CID2396435,
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-benzoic Acid,
|
| 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 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number