| CAS Number | 99-46-7 |
| Catalog Number | AG005SB6(AGN-PC-002GS8) |
| Chemical Name | 3-Ethylbenzene-1-sulfonamide |
| IUPAC Name | 3-ethylbenzenesulfonamide |
| InChI | InChI=1S/C8H11NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11) |
| InChI Key | IDAXFFOLDRMEAO-UHFFFAOYSA-N |
| MDL Number | MFCD11650806 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | CCC1=CC(S(N)(=O)=O)=CC=C1 |
| Synonyms | 3-ethylbenzenesulfonamide,
99-46-7,
BENZENESULFONAMIDE, 3-ETHYL-,
3-Ethylbenzene-1-sulfonamide,
SCHEMBL2005567,
CTK5I0444,
DTXSID50563751,
ZINC34361466,
AKOS009386357,
Benzenesulfonamide,3-ethyl-,
Benzenesulfonamide, m-ethyl-,
Benzenesulfonamide, 3-ethyl- (9CI),
N-[2-(Diethylamino)ethyl]-3-Methoxy-Benzenesulfonamide,
B3V,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.241g/mol |
| Monoisotopic Mass | 185.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number