| CAS Number | 1094537-20-8 |
| Catalog Number | AG01BTM0 |
| Chemical Name | 4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide |
| IUPAC Name | 4-ethoxy-3-propan-2-ylbenzenesulfonamide |
| InChI | InChI=1S/C11H17NO3S/c1-4-15-11-6-5-9(16(12,13)14)7-10(11)8(2)3/h5-8H,4H2,1-3H3,(H2,12,13,14) |
| InChI Key | SHHNDPMSGIXMCO-UHFFFAOYSA-N |
| MDL Number | MFCD11213166 |
| Molecular Formula | C11H17NO3S |
| Molecular Weight | 243.3226 |
| SMILES | CCOC1=C(C(C)C)C=C(S(N)(=O)=O)C=C1 |
| Synonyms | 4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide,
1094537-20-8,
4-ethoxy-3-(methylethyl)benzenesulfonamide,
ZINC36948732,
4-ethoxy-3-isopropylbenzenesulfonamide,
AKOS005141158,
MCULE-6272306898,
ST51070548,
AP-263/43505262,
Z1724003569,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.321g/mol |
| Monoisotopic Mass | 243.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number