| CAS Number | 1094735-99-5 |
| Catalog Number | AG01BTLU |
| Chemical Name | 4-butoxy-3-(propan-2-yl)benzene-1-sulfonamide |
| IUPAC Name | 4-butoxy-3-propan-2-ylbenzenesulfonamide |
| InChI | InChI=1S/C13H21NO3S/c1-4-5-8-17-13-7-6-11(18(14,15)16)9-12(13)10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,14,15,16) |
| InChI Key | NRHYJLNQYYFIJU-UHFFFAOYSA-N |
| MDL Number | MFCD11213165 |
| Molecular Formula | C13H21NO3S |
| Molecular Weight | 271.3757 |
| SMILES | CCCCOC1=C(C(C)C)C=C(S(N)(=O)=O)C=C1 |
| Synonyms | 4-butoxy-3-(propan-2-yl)benzene-1-sulfonamide,
1094735-99-5,
4-butoxy-3-isopropylbenzenesulfonamide,
ZINC36948731,
AKOS005141498,
MCULE-4652049493,
4-butoxy-3-(methylethyl)benzenesulfonamide,
ST51070563,
AP-263/43503718,
Z1725843324,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.375g/mol |
| Monoisotopic Mass | 271.124g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number