| CAS Number | 681213-48-9 |
| Catalog Number | AG003A3P(AGN-PC-0WGGOZ) |
| Chemical Name | 4-pentyl-N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)benzene-1-sulfonamide |
| IUPAC Name | 4-pentyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide |
| InChI | InChI=1S/C21H22F3N3O3S/c1-2-3-4-5-15-6-12-18(13-7-15)31(28,29)25-14-19-26-20(27-30-19)16-8-10-17(11-9-16)21(22,23)24/h6-13,25H,2-5,14H2,1H3 |
| InChI Key | JPOFPIGDTPRIIM-UHFFFAOYSA-N |
| MDL Number | MFCD02180084 |
| Molecular Formula | C21H22F3N3O3S |
| Molecular Weight | 453.4779 |
| SMILES | C(CCCC)C1=CC=C(C=C1)S(=O)(=O)NCC1=NC(=NO1)C1=CC=C(C=C1)C(F)(F)F |
| Synonyms | 4-pentyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide,
4-pentyl-N-((3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide,
AC1MDDDZ,
ZINC12340378,
MCULE-5246242271,
681213-48-9,
Benzenesulfonamide, 4-pentyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-,
CID2809522,
|
| Complexity | 641 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 453.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 453.48g/mol |
| Monoisotopic Mass | 453.133g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 93.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number