| CAS Number | 2097938-57-1 |
| Catalog Number | AG01FSA6(AGN-PC-3H6023) |
| Chemical Name | N-((4-Bromophenyl)sulfonyl)hexanamide |
| IUPAC Name | N-(4-bromophenyl)sulfonylhexanamide |
| InChI | InChI=1S/C12H16BrNO3S/c1-2-3-4-5-12(15)14-18(16,17)11-8-6-10(13)7-9-11/h6-9H,2-5H2,1H3,(H,14,15) |
| InChI Key | LPNHFWNNTBCELE-UHFFFAOYSA-N |
| MDL Number | MFCD30749344 |
| Molecular Formula | C12H16BrNO3S |
| Molecular Weight | 334.2293 |
| SMILES | CCCCCC(=O)NS(=O)(=O)c1ccc(cc1)Br |
| Synonyms | N-((4-Bromophenyl)sulfonyl)hexanamide,
2097938-57-1,
KS-00000UBC,
ZINC46709018,
AK687439,
DS-20156,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.00343g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.23g/mol |
| Monoisotopic Mass | 333.00343g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 71.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number