| CAS Number | 1334497-45-8 |
| Catalog Number | AG009YIT(AGN-PC-0WCTOW) |
| Chemical Name | 4-BROMO-N-CYCLOPENTYL-2-FLUOROBENZENESULFONAMIDE |
| IUPAC Name | 4-bromo-N-cyclopentyl-2-fluorobenzenesulfonamide |
| InChI | InChI=1S/C11H13BrFNO2S/c12-8-5-6-11(10(13)7-8)17(15,16)14-9-3-1-2-4-9/h5-7,9,14H,1-4H2 |
| InChI Key | MVGSARYTNNCHLY-UHFFFAOYSA-N |
| MDL Number | MFCD21364216 |
| Molecular Formula | C11H13BrFNO2S |
| Molecular Weight | 322.1938 |
| SMILES | FC1=CC(Br)=CC=C1S(=O)(=O)NC1CCCC1 |
| Synonyms | 4-bromo-N-cyclopentyl-2-fluorobenzenesulfonamide,
1334497-45-8,
MFCD21364216,
ZINC68741073,
AKOS025286970,
AM86540,
MCULE-9560328060,
AS-40058,
AO-854/43457707,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.192g/mol |
| Monoisotopic Mass | 320.983g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number