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

C21H19F3N4O2S — CID 56764827

IUPAC4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C21H19F3N4O2S/c22-21(23,24)17-8-4-5-9-19(17)31(29,30)28-12-10-27(11-13-28)20-14-18(25-15-26-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2
InChIKeyDEJRYKRJTHIXIE-UHFFFAOYSA-N
MW448.47 g/mol
LogP3.67
Rot. Bonds4

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

4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 56764827) has the molecular formula C21H19F3N4O2S and a molecular weight of 448.47 g/mol. Its IUPAC name is 4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
PubChem CID56764827
Molecular FormulaC21H19F3N4O2S
Molecular Weight448.47 g/mol
Exact Mass448.12
IUPAC Name4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C21H19F3N4O2S/c22-21(23,24)17-8-4-5-9-19(17)31(29,30)28-12-10-27(11-13-28)20-14-18(25-15-26-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2
InChIKeyDEJRYKRJTHIXIE-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-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 72717221
3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 42110742
4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine
CID 90517124
4-[4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine
CID 90517059
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 53006608
4-(4-fluorophenyl)-6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121107500
4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517170
2,2,2-trifluoro-1-[2-methyl-5-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 90517109
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine
CID 53071451
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921546
4-(4-ethoxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121107413

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine (CID 56764827) is 4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine is O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of 4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is DEJRYKRJTHIXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2S/c22-21(23,24)17-8-4-5-9-19(17)31(29,30)28-12-10-27(11-13-28)20-14-18(25-15-26-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2.
What are the key properties of 4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine 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 4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 56764827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).