| CAS Number | 1355631-24-1 |
| Catalog Number | AG009CDR |
| Chemical Name | 5-chloro-4-[(3,4-dichlorophenoxy)Methyl]-2-fluoro-N-(Methylsulfonyl)benzaMide |
| IUPAC Name | 5-chloro-4-[(3,4-dichlorophenoxy)methyl]-2-fluoro-N-methylsulfonylbenzamide |
| InChI | InChI=1S/C15H11Cl3FNO4S/c1-25(22,23)20-15(21)10-6-12(17)8(4-14(10)19)7-24-9-2-3-11(16)13(18)5-9/h2-6H,7H2,1H3,(H,20,21) |
| InChI Key | VHPXWPAGHGHDCK-UHFFFAOYSA-N |
| MDL Number | MFCD27992057 |
| Molecular Formula | C15H11Cl3FNO4S |
| Molecular Weight | 426.6745 |
| SMILES | C(NS(C)(=O)=O)(=O)C1=CC(Cl)=C(COC2=CC=C(Cl)C(Cl)=C2)C=C1F |
| Synonyms | CS-2100,
Nav1.7 inhibitor,
1355631-24-1,
NAV1.7-INHIBITOR,
5-Chloro-4-[(3,4-dichlorophenoxy)methyl]-2-fluoro-N-(methylsulfonyl)benzamide,
5-Chloro-4-((3,4-dichlorophenoxy)methyl)-2-fluoro-N-(methylsulfonyl)benzamide,
C15H11Cl3FNO4S,
SCHEMBL370936,
VHPXWPAGHGHDCK-UHFFFAOYSA-N,
BCP11062,
3336AH,
FD5017,
ZINC97758761,
AKOS027338217,
CS-2100,
HY-13985,
AB0087823,
B1181,
|
| Complexity | 574 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 424.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 426.664g/mol |
| Monoisotopic Mass | 424.946g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number