| CAS Number | 733759-45-0 |
| Catalog Number | AG019I3O |
| Chemical Name | 2-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide |
| IUPAC Name | 2-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide |
| InChI | InChI=1S/C14H21ClN2O3S/c1-5-17(6-2)21(19,20)13-9-12(8-7-10(13)3)16-14(18)11(4)15/h7-9,11H,5-6H2,1-4H3,(H,16,18) |
| InChI Key | MAQHTOOGZOBAGB-UHFFFAOYSA-N |
| MDL Number | MFCD03984464 |
| Molecular Formula | C14H21ClN2O3S |
| Molecular Weight | 332.8461 |
| SMILES | CCN(S(C1=C(C)C=CC(NC(C(Cl)C)=O)=C1)(=O)=O)CC |
| Synonyms | 2-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide,
733759-45-0,
2-Chloro-N-(3-diethylsulfamoyl-4-methyl-phenyl)-propionamide,
AC1MXJ5T,
AC1Q2ZHF,
CTK6E8586,
AKOS000117905,
AKOS016880628,
MCULE-3824018886,
NE12758,
EN300-05534,
ZINC03886386,
CID3766455,
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.843g/mol |
| Monoisotopic Mass | 332.096g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number