| CAS Number | 927979-26-8 |
| Catalog Number | AG01A05C |
| Chemical Name | 4-(aminomethyl)-N-(4-fluorophenyl)benzene-1-sulfonamide |
| IUPAC Name | 4-(aminomethyl)-N-(4-fluorophenyl)benzenesulfonamide |
| InChI | InChI=1S/C13H13FN2O2S/c14-11-3-5-12(6-4-11)16-19(17,18)13-7-1-10(9-15)2-8-13/h1-8,16H,9,15H2 |
| InChI Key | DJQWTDSBUVRLRP-UHFFFAOYSA-N |
| MDL Number | MFCD09262459 |
| Molecular Formula | C13H13FN2O2S |
| Molecular Weight | 280.3179 |
| SMILES | NCC1=CC=C(S(NC2=CC=C(F)C=C2)(=O)=O)C=C1 |
| Synonyms | 4-(aminomethyl)-N-(4-fluorophenyl)benzene-1-sulfonamide,
927979-26-8,
CTK7E5090,
ZINC11849293,
AKOS000137696,
MCULE-1998970015,
NE22984,
Z1421529528,
4-(AMINOMETHYL)-N-(4-FLUOROPHENYL)BENZENESULFONAMIDE,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.317g/mol |
| Monoisotopic Mass | 280.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number