| CAS Number | 161767-97-1 |
| Catalog Number | AG01A6XJ |
| Chemical Name | 4-(2-Methylpropyl)benzene-1-sulfonamide |
| IUPAC Name | 4-(2-methylpropyl)benzenesulfonamide |
| InChI | InChI=1S/C10H15NO2S/c1-8(2)7-9-3-5-10(6-4-9)14(11,12)13/h3-6,8H,7H2,1-2H3,(H2,11,12,13) |
| InChI Key | RMVGDCROLOGLIE-UHFFFAOYSA-N |
| MDL Number | MFCD00460438 |
| Molecular Formula | C10H15NO2S |
| Molecular Weight | 213.2966 |
| SMILES | CC(CC1=CC=C(S(N)(=O)=O)C=C1)C |
| Synonyms | 4-(2-methylpropyl)benzene-1-sulfonamide,
161767-97-1,
Benzenesulfonamide, 4-(2-methylpropyl)-,
SCHEMBL3092073,
ZINC13950188,
AKOS003858321,
MCULE-8105644691,
NE44435,
Z365109682,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.295g/mol |
| Monoisotopic Mass | 213.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number