| CAS Number | 1017459-30-1 |
| Catalog Number | AG01AK97 |
| Chemical Name | 5-amino-N-tert-butyl-2-methylbenzene-1-sulfonamide |
| IUPAC Name | 5-amino-N-tert-butyl-2-methylbenzenesulfonamide |
| InChI | InChI=1S/C11H18N2O2S/c1-8-5-6-9(12)7-10(8)16(14,15)13-11(2,3)4/h5-7,13H,12H2,1-4H3 |
| InChI Key | QAQZSCGMACZHLV-UHFFFAOYSA-N |
| MDL Number | MFCD11133822 |
| Molecular Formula | C11H18N2O2S |
| Molecular Weight | 242.3378 |
| SMILES | CC1=C(S(NC(C)(C)C)(=O)=O)C=C(N)C=C1 |
| Synonyms | 5-amino-N-tert-butyl-2-methylbenzene-1-sulfonamide,
1017459-30-1,
SCHEMBL18739952,
ZINC11737041,
AKOS009226969,
MCULE-1319927913,
NE25934,
EN300-83101,
Z1250132302,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.337g/mol |
| Monoisotopic Mass | 242.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number