| CAS Number | 56542-61-1 |
| Catalog Number | AG01C1NN(AGN-PC-01GE8D) |
| Chemical Name | 3-Cyano-n-ethylbenzene-1-sulfonamide |
| IUPAC Name | 3-cyano-N-ethylbenzenesulfonamide |
| InChI | InChI=1S/C9H10N2O2S/c1-2-11-14(12,13)9-5-3-4-8(6-9)7-10/h3-6,11H,2H2,1H3 |
| InChI Key | CTEVGKCGQHFCTE-UHFFFAOYSA-N |
| MDL Number | MFCD08884392 |
| Molecular Formula | C9H10N2O2S |
| Molecular Weight | 210.2529 |
| SMILES | CCNS(C1=CC(C#N)=CC=C1)(=O)=O |
| Synonyms | 3-cyano-n-ethylbenzene-1-sulfonamide,
56542-61-1,
SCHEMBL4615617,
CTEVGKCGQHFCTE-UHFFFAOYSA-N,
3-Cyano-N-ethyl-benzenesulfonamide,
ZINC9314445,
AKOS000180808,
MCULE-9057073730,
3-CYANO-N-ETHYLBENZENESULFONAMIDE,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.251g/mol |
| Monoisotopic Mass | 210.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number