| CAS Number | 903482-83-7 |
| Catalog Number | AG01DWTF |
| Chemical Name | N-benzylpyridine-3-sulfonamide |
| IUPAC Name | N-benzylpyridine-3-sulfonamide |
| InChI | InChI=1S/C12H12N2O2S/c15-17(16,12-7-4-8-13-10-12)14-9-11-5-2-1-3-6-11/h1-8,10,14H,9H2 |
| InChI Key | BPFQRGOFBYOROO-UHFFFAOYSA-N |
| MDL Number | MFCD00522951 |
| Molecular Formula | C12H12N2O2S |
| Molecular Weight | 248.3009 |
| SMILES | O=S(C1=CN=CC=C1)(NCC1=CC=CC=C1)=O |
| Synonyms | N-benzylpyridine-3-sulfonamide,
903482-83-7,
Oprea1_546321,
SCHEMBL18725052,
AKOS027791873,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.3g/mol |
| Monoisotopic Mass | 248.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number