| CAS Number | 923810-10-0 |
| Catalog Number | AG00IH49(AGN-PC-0WRA9H) |
| Chemical Name | N-benzyl-1-(4-cyanophenyl)methanesulfonamide |
| IUPAC Name | N-benzyl-1-(4-cyanophenyl)methanesulfonamide |
| InChI | InChI=1S/C15H14N2O2S/c16-10-13-6-8-15(9-7-13)12-20(18,19)17-11-14-4-2-1-3-5-14/h1-9,17H,11-12H2 |
| InChI Key | JLIWGCLWFRRVGV-UHFFFAOYSA-N |
| MDL Number | MFCD08868865 |
| Molecular Formula | C15H14N2O2S |
| Molecular Weight | 286.3489 |
| SMILES | N#Cc1ccc(cc1)CS(=O)(=O)NCc1ccccc1 |
| Synonyms | N-benzyl-1-(4-cyanophenyl)methanesulfonamide,
923810-10-0,
ZINC10216351,
AKOS009084362,
MCULE-3104678979,
NCGC00337652-01,
AB01329064-02,
Z165164314,
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| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.349g/mol |
| Monoisotopic Mass | 286.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number