| CAS Number | 949376-83-4 |
| Catalog Number | AG00IINS(AGN-PC-0WOKY4) |
| Chemical Name | 1-(4-Cyanophenyl)-N-cyclopropylmethanesulfonamide |
| IUPAC Name | 1-(4-cyanophenyl)-N-cyclopropylmethanesulfonamide |
| InChI | InChI=1S/C11H12N2O2S/c12-7-9-1-3-10(4-2-9)8-16(14,15)13-11-5-6-11/h1-4,11,13H,5-6,8H2 |
| InChI Key | NNUWCTSFQYVIPZ-UHFFFAOYSA-N |
| MDL Number | MFCD10503523 |
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.2902 |
| SMILES | N#Cc1ccc(cc1)CS(=O)(=O)NC1CC1 |
| Synonyms | 1-(4-cyanophenyl)-N-cyclopropylmethanesulfonamide,
949376-83-4,
ZINC12996059,
AKOS005766065,
MCULE-1074886478,
AM101694,
Z165167086,
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| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.289g/mol |
| Monoisotopic Mass | 236.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number