| CAS Number | 1196723-93-9 |
| Catalog Number | AG0097FG |
| Chemical Name | HSF1A |
| IUPAC Name | 4-ethyl-N-(2-phenyl-5-thiophen-2-ylpyrazol-3-yl)benzenesulfonamide |
| InChI | InChI=1S/C21H19N3O2S2/c1-2-16-10-12-18(13-11-16)28(25,26)23-21-15-19(20-9-6-14-27-20)22-24(21)17-7-4-3-5-8-17/h3-15,23H,2H2,1H3 |
| InChI Key | KJTITGSAONQVPY-UHFFFAOYSA-N |
| MDL Number | MFCD22580417 |
| Molecular Formula | C21H19N3O2S2 |
| Molecular Weight | 409.5245 |
| SMILES | C(C)C1=CC=C(C=C1)S(=O)(=O)NC1=CC(=NN1C1=CC=CC=C1)C=1SC=CC1 |
| Synonyms | HSF1A,
1196723-93-9,
4-Ethyl-N-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-yl)benzenesulfonamide,
SCHEMBL1819497,
BCP29142,
ZINC95642072,
AKOS026681562,
CS-7837,
HY-103000,
F2199-0485,
|
| Complexity | 595 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 409.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.522g/mol |
| Monoisotopic Mass | 409.092g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number