| CAS Number | 746607-43-2 |
| Catalog Number | AG00FC45 |
| Chemical Name | 4-chloro-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide |
| IUPAC Name | 4-chloro-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C13H17ClN2O4S/c1-9-2-4-10(5-3-9)15-21(19,20)11-6-7-12(14)13(8-11)16(17)18/h6-10,15H,2-5H2,1H3 |
| InChI Key | RLVFIGILQFPNPA-UHFFFAOYSA-N |
| MDL Number | MFCD06334909 |
| Molecular Formula | C13H17ClN2O4S |
| Molecular Weight | 332.8031 |
| SMILES | O=S(C1=CC=C(Cl)C([N+]([O-])=O)=C1)(NC2CCC(C)CC2)=O |
| Synonyms | 4-chloro-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide,
746607-43-2,
4-chloro-N-(4-methylcyclohexyl)-3-nitrobenzene-1-sulfonamide,
AC1N14KH,
AC1Q2QS5,
CTK6B8775,
ZINC3888069,
AKOS008938682,
NE31792,
EN300-10232,
AB00724444-01,
J-515165,
ZINC03888069,
CID3949589,
|
| Complexity | 466 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.799g/mol |
| Monoisotopic Mass | 332.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number