| CAS Number | 891016-02-7 |
| Catalog Number | AG01BV7I |
| Chemical Name | N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide |
| IUPAC Name | N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide |
| InChI | InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3 |
| InChI Key | OVTXOMMQHRIKGL-UHFFFAOYSA-N |
| MDL Number | MFCD14811190 |
| Molecular Formula | C23H31N3O3S |
| Molecular Weight | 429.5755 |
| SMILES | O=S(C1=CC=CC=C1)(NC2C(N3CCN(C4=CC=CC=C4OC)CC3)CCCC2)=O |
| Synonyms | N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide,
891016-02-7,
MLS001116410,
CHEMBL1461343,
HMS2929M22,
AKOS001870732,
CCG-143140,
MCULE-3106698620,
SMR000625516,
|
| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 429.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 429.579g/mol |
| Monoisotopic Mass | 429.209g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number