| CAS Number | 1038725-38-0 |
| Catalog Number | AG019VH4 |
| Chemical Name | 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide |
| IUPAC Name | 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide |
| InChI | InChI=1S/C14H15FN2O2S/c15-13-5-1-4-12(7-13)10-17-20(18,19)14-6-2-3-11(8-14)9-16/h1-8,17H,9-10,16H2 |
| InChI Key | PHQYONDYBKPXJO-UHFFFAOYSA-N |
| MDL Number | MFCD12177502 |
| Molecular Formula | C14H15FN2O2S |
| Molecular Weight | 294.3445 |
| SMILES | NCC1=CC(S(NCC2=CC(F)=CC=C2)(=O)=O)=CC=C1 |
| Synonyms | 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide,
1038725-38-0,
AC1Q53U3,
CTK7E5866,
ZINC20473628,
AKOS008118385,
MCULE-2759562297,
NE35349,
EN300-45223,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.344g/mol |
| Monoisotopic Mass | 294.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number