4-[4-(Methylsulfonyl)-1-piperazinyl]aniline - CAS 442549-42-0
Catalog: |
BB025551 |
Product Name: |
4-[4-(Methylsulfonyl)-1-piperazinyl]aniline |
CAS: |
442549-42-0 |
Synonyms: |
4-(4-methylsulfonyl-1-piperazinyl)aniline; 4-(4-methylsulfonylpiperazin-1-yl)aniline |
IUPAC Name: | 4-(4-methylsulfonylpiperazin-1-yl)aniline |
Description: | 4-[4-(Methylsulfonyl)-1-piperazinyl]aniline (CAS# 442549-42-0) is a useful research chemical. |
Molecular Weight: | 255.34 |
Molecular Formula: | C11H17N3O2S |
Canonical SMILES: | CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)N |
InChI: | InChI=1S/C11H17N3O2S/c1-17(15,16)14-8-6-13(7-9-14)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3 |
InChI Key: | DFLQDPGZILSRHW-UHFFFAOYSA-N |
MDL: | MFCD03848236 |
LogP: | 2.01530 |
Publication Number | Title | Priority Date |
WO-2020183011-A1 | Htr1d inhibitors and uses thereof in the treatment of cancer | 20190314 |
WO-2020181207-A1 | Substituted bicyclic and tetracyclic quinones and related methods of use | 20190306 |
WO-2014111031-A1 | Triazine compound, pharmaceutical salt, isomer, or hydrate thereof, and pharmaceutical composition thereof | 20130117 |
US-10000482-B2 | Kinase inhibitors | 20121019 |
US-2015259340-A1 | Novel kinase inhibitors | 20121019 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.10414797 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.10414797 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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