| CAS Number | 1572510-80-5 |
| Catalog Number | AG01EOSK(AGN-PC-3H46IJ) |
| Chemical Name | Ab-423 |
| IUPAC Name | 5-[[(2R)-butan-2-yl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide |
| InChI | InChI=1S/C17H17F3N2O3S/c1-3-10(2)22-26(24,25)12-5-7-14(18)13(9-12)17(23)21-11-4-6-15(19)16(20)8-11/h4-10,22H,3H2,1-2H3,(H,21,23)/t10-/m1/s1 |
| InChI Key | BBLXLHYPDOMJMO-SNVBAGLBSA-N |
| MDL Number | MFCD31657418 |
| Molecular Formula | C17H17F3N2O3S |
| Molecular Weight | 386.3887 |
| SMILES | O=C(NC1=CC=C(F)C(F)=C1)C2=CC(S(=O)(N[C@H](C)CC)=O)=CC=C2F |
| Synonyms | AB-423,
1572510-80-5,
SCHEMBL15847989,
EX-A1832,
ZINC3023493,
HY-112142,
CS-0043473,
(R)-5-(N-(sec-butyl)sulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide,
ACN-055559,
(S)-5-(N-(sec-butyl)sulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide,
|
| Complexity | 584 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.389g/mol |
| Monoisotopic Mass | 386.091g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number