| CAS Number | 726157-10-4 |
| Catalog Number | AG00FC70 |
| Chemical Name | 3-(N-Allyl-N-(4-chlorophenyl)sulfamoyl)-4-chlorobenzoic acid |
| IUPAC Name | 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoic acid |
| InChI | InChI=1S/C16H13Cl2NO4S/c1-2-9-19(13-6-4-12(17)5-7-13)24(22,23)15-10-11(16(20)21)3-8-14(15)18/h2-8,10H,1,9H2,(H,20,21) |
| InChI Key | DCBLWRXMEUMKIG-UHFFFAOYSA-N |
| MDL Number | MFCD03964196 |
| Molecular Formula | C16H13Cl2NO4S |
| Molecular Weight | 386.2497 |
| SMILES | O=C(O)C1=CC=C(Cl)C(S(=O)(N(CC=C)C2=CC=C(Cl)C=C2)=O)=C1 |
| Synonyms | 3-[Allyl-(4-chloro-phenyl)-sulfamoyl]-4-chloro-benzoic acid,
726157-10-4,
4-chloro-3-[(4-chlorophenyl)(prop-2-en-1-yl)sulfamoyl]benzoic acid,
EN300-00607,
AC1NLT95,
AC1Q72RL,
CTK5J4431,
ZINC3884882,
AKOS000114967,
MCULE-4632363968,
NE12651,
J-511476,
Z56881222,
3-[allyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoic acid,
3-(N-Allyl-N-(4-chlorophenyl)sulfamoyl)-4-chlorobenzoic acid,
4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoic acid,
CID4989560,
4-chloro-3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoic Acid,
|
| Complexity | 555 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.243g/mol |
| Monoisotopic Mass | 384.994g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number