| CAS Number | 405281-54-1 |
| Catalog Number | AG019W48(AGN-PC-00PK0Y) |
| Chemical Name | 2-hydroxy-N,N,5-trimethylbenzene-1-sulfonamide |
| IUPAC Name | 2-hydroxy-N,N,5-trimethylbenzenesulfonamide |
| InChI | InChI=1S/C9H13NO3S/c1-7-4-5-8(11)9(6-7)14(12,13)10(2)3/h4-6,11H,1-3H3 |
| InChI Key | QPHMQUSKEJPDDM-UHFFFAOYSA-N |
| MDL Number | MFCD12912855 |
| Molecular Formula | C9H13NO3S |
| Molecular Weight | 215.2694 |
| SMILES | CN(S(C1=C(O)C=CC(C)=C1)(=O)=O)C |
| Synonyms | 2-hydroxy-N,N,5-trimethylbenzene-1-sulfonamide,
405281-54-1,
AC1Q3WY6,
SCHEMBL15964234,
CTK6B7416,
ZINC36379636,
AKOS034572820,
MCULE-8760519751,
NE56741,
EN300-50483,
N,N,5-Trimethyl-2-hydroxy-benzenesulfonamide,
Z752362042,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.267g/mol |
| Monoisotopic Mass | 215.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number