| CAS Number | 1233948-61-2 |
| Catalog Number | AG009CBA(AGN-PC-0WGCZ8) |
| Chemical Name | EL-102 |
| IUPAC Name | N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide |
| InChI | InChI=1S/C19H16N2O3S2/c1-13-3-4-14(15-9-17(11-20)25-12-15)10-19(13)21-26(22,23)18-7-5-16(24-2)6-8-18/h3-10,12,21H,1-2H3 |
| InChI Key | STJKZARVVAISJM-UHFFFAOYSA-N |
| MDL Number | MFCD25976812 |
| Molecular Formula | C19H16N2O3S2 |
| Molecular Weight | 384.4719 |
| SMILES | C1(S(NC2=CC(C3C=C(C#N)SC=3)=CC=C2C)(=O)=O)=CC=C(OC)C=C1 |
| Synonyms | EL-102,
1233948-61-2,
SCHEMBL12966384,
EL102,
ZINC68267081,
AKOS030526338,
CS-5641,
SB17224,
HY-16187,
N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide,
STJKZARVVAISJM-UHFFFAOYSA-N,
|
| Complexity | 616 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.468g/mol |
| Monoisotopic Mass | 384.06g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number