| CAS Number | 1031130-88-7 |
| Catalog Number | AG019PBS |
| Chemical Name | 2-chloro-N-[5-(diethylsulfamoyl)-2-(propan-2-yloxy)phenyl]acetamide |
| IUPAC Name | 2-chloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide |
| InChI | InChI=1S/C15H23ClN2O4S/c1-5-18(6-2)23(20,21)12-7-8-14(22-11(3)4)13(9-12)17-15(19)10-16/h7-9,11H,5-6,10H2,1-4H3,(H,17,19) |
| InChI Key | KBSQGGBPBXNYDC-UHFFFAOYSA-N |
| MDL Number | MFCD09971329 |
| Molecular Formula | C15H23ClN2O4S |
| Molecular Weight | 362.8721 |
| SMILES | CCN(S(C1=CC(NC(CCl)=O)=C(OC(C)C)C=C1)(=O)=O)CC |
| Synonyms | 2-chloro-N-[5-(diethylsulfamoyl)-2-(propan-2-yloxy)phenyl]acetamide,
1031130-88-7,
2-chloro-N-{5-[(diethylamino)sulfonyl]-2-isopropoxyphenyl}acetamide,
AC1Q2ZHJ,
CTK6E8642,
ZINC12504866,
AKOS008068366,
MCULE-3128386962,
NE20325,
EN300-23143,
|
| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.869g/mol |
| Monoisotopic Mass | 362.107g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number