| CAS Number | 76653-15-1 |
| Catalog Number | AG01AFX7 |
| Chemical Name | 2-(4-Methoxyphenyl)ethane-1-sulfonamide |
| IUPAC Name | 2-(4-methoxyphenyl)ethanesulfonamide |
| InChI | InChI=1S/C9H13NO3S/c1-13-9-4-2-8(3-5-9)6-7-14(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12) |
| InChI Key | RRJBARRRFGZDIX-UHFFFAOYSA-N |
| MDL Number | MFCD21235725 |
| Molecular Formula | C9H13NO3S |
| Molecular Weight | 215.2694 |
| SMILES | COC1=CC=C(CCS(N)(=O)=O)C=C1 |
| Synonyms | 2-(4-methoxyphenyl)ethane-1-sulfonamide,
76653-15-1,
SCHEMBL2115708,
ZINC83827342,
AKOS014782659,
MCULE-2769767455,
NE24011,
Z1742055012,
|
| Complexity | 250 |
| 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 | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number