| CAS Number | 519152-22-8 |
| Catalog Number | AG019GO5 |
| Chemical Name | 3-[Benzyl(4-chlorophenyl)sulfamoyl]-4-chlorobenzoic acid |
| IUPAC Name | 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoic acid |
| InChI | InChI=1S/C20H15Cl2NO4S/c21-16-7-9-17(10-8-16)23(13-14-4-2-1-3-5-14)28(26,27)19-12-15(20(24)25)6-11-18(19)22/h1-12H,13H2,(H,24,25) |
| InChI Key | FEANSCVRNAJACC-UHFFFAOYSA-N |
| MDL Number | MFCD03480190 |
| Molecular Formula | C20H15Cl2NO4S |
| Molecular Weight | 436.3084 |
| SMILES | OC(C1=CC(S(N(C2=CC=C(Cl)C=C2)CC2=CC=CC=C2)(=O)=O)=C(Cl)C=C1)=O |
| Synonyms | 3-[benzyl(4-chlorophenyl)sulfamoyl]-4-chlorobenzoic acid,
519152-22-8,
3-[Benzyl-(4-chloro-phenyl)-sulfamoyl]-4-chloro-benzoic acid,
AC1M5NL1,
AC1Q72RR,
MLS001170995,
SCHEMBL2117559,
CHEMBL1307229,
CTK6H0311,
HMS2856J24,
ZINC3239581,
AKOS000114883,
MCULE-4081777001,
NE12506,
SMR000588511,
EN300-00632,
Z56839993,
3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoic acid,
CID2357151,
3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chloro-benzoic Acid,
|
| Complexity | 625 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 435.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.303g/mol |
| Monoisotopic Mass | 435.01g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number