| CAS Number | 1042608-94-5 |
| Catalog Number | AG01A9HB |
| Chemical Name | N-{3-[(propan-2-yl)amino]phenyl}methanesulfonamide |
| IUPAC Name | N-[3-(propan-2-ylamino)phenyl]methanesulfonamide |
| InChI | InChI=1S/C10H16N2O2S/c1-8(2)11-9-5-4-6-10(7-9)12-15(3,13)14/h4-8,11-12H,1-3H3 |
| InChI Key | BXYXGVKJAKVHAK-UHFFFAOYSA-N |
| MDL Number | MFCD11167039 |
| Molecular Formula | C10H16N2O2S |
| Molecular Weight | 228.3112 |
| SMILES | CC(NC1=CC(NS(C)(=O)=O)=CC=C1)C |
| Synonyms | N-{3-[(propan-2-yl)amino]phenyl}methanesulfonamide,
1042608-94-5,
N-[3-(propan-2-ylamino)phenyl]methanesulfonamide,
AC1Q1QAI,
ZINC20202746,
AKOS008110194,
MCULE-3932900258,
NE41185,
EN300-65108,
Z1262327412,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.31g/mol |
| Monoisotopic Mass | 228.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number