| CAS Number | 1261582-52-8 |
| Catalog Number | AG01ACGC |
| Chemical Name | 4-Cyano-2-methoxybenzene-1-sulfonamide |
| IUPAC Name | 4-cyano-2-methoxybenzenesulfonamide |
| InChI | InChI=1S/C8H8N2O3S/c1-13-7-4-6(5-9)2-3-8(7)14(10,11)12/h2-4H,1H3,(H2,10,11,12) |
| InChI Key | ZJSRSWSGPLOVEE-UHFFFAOYSA-N |
| MDL Number | MFCD18394204 |
| Molecular Formula | C8H8N2O3S |
| Molecular Weight | 212.2257 |
| SMILES | COC1=C(S(N)(=O)=O)C=CC(C#N)=C1 |
| Synonyms | 4-cyano-2-methoxybenzene-1-sulfonamide,
1261582-52-8,
SCHEMBL10034994,
4-cyano-2-methoxybenzenesulfonamide,
ZINC95829704,
AKOS033553049,
MCULE-7478668897,
NE49457,
Z1696871290,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.223g/mol |
| Monoisotopic Mass | 212.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number