| CAS Number | 90874-19-4 |
| Catalog Number | AG00H4OC |
| Chemical Name | 2-Ethyl-n,n-dimethyl-5-nitrobenzenesulfonamide |
| IUPAC Name | 2-ethyl-N,N-dimethyl-5-nitrobenzenesulfonamide |
| InChI | InChI=1S/C10H14N2O4S/c1-4-8-5-6-9(12(13)14)7-10(8)17(15,16)11(2)3/h5-7H,4H2,1-3H3 |
| InChI Key | HMJUDVFKNWNBOI-UHFFFAOYSA-N |
| MDL Number | MFCD28128335 |
| Molecular Formula | C10H14N2O4S |
| Molecular Weight | 258.2942 |
| SMILES | CCC1=C(S(N(C)C)(=O)=O)C=C([N+]([O-])=O)C=C1 |
| Synonyms | 90874-19-4,
2-Ethyl-N,N-dimethyl-5-nitrobenzene-1-sulfonamide,
2-ethyl-N,N-dimethyl-5-nitrobenzenesulfonamide,
SCHEMBL7213956,
ZINC33976196,
AKOS008863987,
CID9834936,
2-ethyl-N,N-dimethyl-5-nitro-benzenesulfonamide,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.292g/mol |
| Monoisotopic Mass | 258.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number