| CAS Number | 879318-99-7 |
| Catalog Number | AG019PBW |
| Chemical Name | 2-Chloro-n-(4-([cyclohexyl(methyl)amino]sulfonyl)phenyl)acetamide |
| IUPAC Name | 2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide |
| InChI | InChI=1S/C15H21ClN2O3S/c1-18(13-5-3-2-4-6-13)22(20,21)14-9-7-12(8-10-14)17-15(19)11-16/h7-10,13H,2-6,11H2,1H3,(H,17,19) |
| InChI Key | VUAACKSMMNUVSJ-UHFFFAOYSA-N |
| MDL Number | MFCD08261038 |
| Molecular Formula | C15H21ClN2O3S |
| Molecular Weight | 344.8568 |
| SMILES | CN(S(C1=CC=C(NC(CCl)=O)C=C1)(=O)=O)C1CCCCC1 |
| Synonyms | 2-chloro-N-{4-[cyclohexyl(methyl)sulfamoyl]phenyl}acetamide,
879318-99-7,
2-chloro-N-(4-{[cyclohexyl(methyl)amino]sulfonyl}phenyl)acetamide,
AC1Q3X7N,
CTK6H5515,
ZINC8428156,
AKOS001282044,
MCULE-4756334318,
NE34090,
UPCMLD0ENAT5568670:001,
EN300-23152,
ZINC08428156,
CID9533898,
|
| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.854g/mol |
| Monoisotopic Mass | 344.096g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number