| CAS Number | 1016826-53-1 |
| Catalog Number | AG019UGR |
| Chemical Name | 4-cyano-N-(2-methoxyethyl)benzene-1-sulfonamide |
| IUPAC Name | 4-cyano-N-(2-methoxyethyl)benzenesulfonamide |
| InChI | InChI=1S/C10H12N2O3S/c1-15-7-6-12-16(13,14)10-4-2-9(8-11)3-5-10/h2-5,12H,6-7H2,1H3 |
| InChI Key | ZFBAXVDFTYHDLQ-UHFFFAOYSA-N |
| MDL Number | MFCD09949671 |
| Molecular Formula | C10H12N2O3S |
| Molecular Weight | 240.2789 |
| SMILES | COCCNS(C1=CC=C(C#N)C=C1)(=O)=O |
| Synonyms | 4-cyano-N-(2-methoxyethyl)benzene-1-sulfonamide,
1016826-53-1,
EN300-41617,
AC1Q4G6M,
CTK7B3615,
ZINC14099334,
AKOS000197240,
MCULE-6997953064,
NE29778,
BC4123661,
Z56112230,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.277g/mol |
| Monoisotopic Mass | 240.057g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number