| CAS Number | 565172-42-1 |
| Catalog Number | AG00ECLL |
| Chemical Name | 2-Fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide |
| IUPAC Name | 2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide |
| InChI | InChI=1S/C13H12FNO3S/c1-15(10-6-8-11(16)9-7-10)19(17,18)13-5-3-2-4-12(13)14/h2-9,16H,1H3 |
| InChI Key | AZGSGUOTLVNEGI-UHFFFAOYSA-N |
| MDL Number | MFCD03984469 |
| Molecular Formula | C13H12FNO3S |
| Molecular Weight | 281.3027 |
| SMILES | O=S(C1=CC=CC=C1F)(N(C2=CC=C(O)C=C2)C)=O |
| Synonyms | 2-Fluoro-N-(4-hydroxy-phenyl)-N-methyl-benzenesulfonamide,
565172-42-1,
2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide,
2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzene-1-sulfonamide,
AC1M6AWL,
AC1Q3X3N,
CTK7J9373,
ZINC3252750,
AKOS001057769,
MCULE-2346878213,
NE30771,
EN300-05260,
SR-01000043237,
J-509515,
SR-01000043237-1,
ZINC03252750,
CID2369671,
|
| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.301g/mol |
| Monoisotopic Mass | 281.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number