3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine

C21H19F3N4O2S — CID 42110742

IUPAC3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C21H19F3N4O2S/c22-21(23,24)17-8-4-5-9-19(17)31(29,30)28-14-12-27(13-15-28)20-11-10-18(25-26-20)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyRLOHZWJFXIUWRK-UHFFFAOYSA-N
MW448.47 g/mol
LogP3.67
Rot. Bonds4

About 3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine

3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine (PubChem CID 42110742) has the molecular formula C21H19F3N4O2S and a molecular weight of 448.47 g/mol. Its IUPAC name is 3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
PubChem CID42110742
Molecular FormulaC21H19F3N4O2S
Molecular Weight448.47 g/mol
Exact Mass448.12
IUPAC Name3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C21H19F3N4O2S/c22-21(23,24)17-8-4-5-9-19(17)31(29,30)28-14-12-27(13-15-28)20-11-10-18(25-26-20)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyRLOHZWJFXIUWRK-UHFFFAOYSA-N
XLogP3.67
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 56764827
N-pyridin-2-yl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 50947239
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110738
3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060911
4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 72717221
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110748
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 122334805
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43992565
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine (CID 42110742) is 3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine is O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is RLOHZWJFXIUWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2S/c22-21(23,24)17-8-4-5-9-19(17)31(29,30)28-14-12-27(13-15-28)20-11-10-18(25-26-20)16-6-2-1-3-7-16/h1-11H,12-15H2.
What are the key properties of 3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine?
3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 448.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 42110742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).