| CAS Number | 379726-51-9 |
| Catalog Number | AG019HM0 |
| Chemical Name | Methyl 4-chloro-3-[(2-methoxyphenyl)(prop-2-en-1-yl)sulfamoyl]benzoate |
| IUPAC Name | methyl 4-chloro-3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate |
| InChI | InChI=1S/C18H18ClNO5S/c1-4-11-20(15-7-5-6-8-16(15)24-2)26(22,23)17-12-13(18(21)25-3)9-10-14(17)19/h4-10,12H,1,11H2,2-3H3 |
| InChI Key | SSDJYSAEKNJZSQ-UHFFFAOYSA-N |
| MDL Number | MFCD03152470 |
| Molecular Formula | C18H18ClNO5S |
| Molecular Weight | 395.8572 |
| SMILES | COC(C1=CC(S(N(C2=C(OC)C=CC=C2)CC=C)(=O)=O)=C(Cl)C=C1)=O |
| Synonyms | methyl 4-chloro-3-[(2-methoxyphenyl)(prop-2-en-1-yl)sulfamoyl]benzoate,
379726-51-9,
EN300-03961,
3-[Allyl-(2-methoxy-phenyl)-sulfamoyl]-4-chloro-benzoic acid methyl ester,
AC1M6AJT,
AC1Q438K,
CTK5J4437,
ZINC3226935,
AKOS000116759,
MCULE-6866313330,
NE12391,
SR-01000032506,
SR-01000032506-1,
Z56837151,
methyl 4-chloro-3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate,
ZINC03226935,
CID2345111,
|
| Complexity | 591 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 395.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.854g/mol |
| Monoisotopic Mass | 395.059g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number