| CAS Number | 1040026-51-4 |
| Catalog Number | AG00HA9A(AGN-PC-0WRA9G) |
| Chemical Name | 1-(4-Cyanophenyl)-N-phenylmethanesulfonamide |
| IUPAC Name | 1-(4-cyanophenyl)-N-phenylmethanesulfonamide |
| InChI | InChI=1S/C14H12N2O2S/c15-10-12-6-8-13(9-7-12)11-19(17,18)16-14-4-2-1-3-5-14/h1-9,16H,11H2 |
| InChI Key | WDPGAIBOENDKQC-UHFFFAOYSA-N |
| MDL Number | MFCD12737917 |
| Molecular Formula | C14H12N2O2S |
| Molecular Weight | 272.3223 |
| SMILES | N#Cc1ccc(cc1)CS(=O)(=O)Nc1ccccc1 |
| Synonyms | 1-(4-cyanophenyl)-N-phenylmethanesulfonamide,
1040026-51-4,
AKOS009076738,
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| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.322g/mol |
| Monoisotopic Mass | 272.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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