| CAS Number | 1094315-37-3 |
| Catalog Number | AG01A8ZT |
| Chemical Name | N-[(3-Fluorophenyl)methyl]-N-methylaminosulfonamide |
| IUPAC Name | 1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene |
| InChI | InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13) |
| InChI Key | MTNUKOMLMCLFRR-UHFFFAOYSA-N |
| MDL Number | MFCD11205213 |
| Molecular Formula | C8H11FN2O2S |
| Molecular Weight | 218.2485 |
| SMILES | FC=1C=C(C=CC1)CN(S(=O)=O)NC |
| Synonyms | N-[(3-fluorophenyl)methyl]-N-methylaminosulfonamide,
1094315-37-3,
AC1Q3XBQ,
ZINC36924412,
AKOS008106381,
MCULE-5952883585,
EN300-63854,
Z300245038,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.246g/mol |
| Monoisotopic Mass | 218.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number