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

C15H15F3N4O3S — CID 31701610

IUPAC2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H15F3N4O3S/c16-15(17,18)25-12-4-1-2-5-13(12)26(23,24)22-10-8-21(9-11-22)14-19-6-3-7-20-14/h1-7H,8-11H2
InChIKeyIZOSNZXEDPYOCU-UHFFFAOYSA-N
MW388.37 g/mol
LogP1.89
Rot. Bonds4

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

2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 31701610) has the molecular formula C15H15F3N4O3S and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
PubChem CID31701610
Molecular FormulaC15H15F3N4O3S
Molecular Weight388.37 g/mol
Exact Mass388.08
IUPAC Name2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H15F3N4O3S/c16-15(17,18)25-12-4-1-2-5-13(12)26(23,24)22-10-8-21(9-11-22)14-19-6-3-7-20-14/h1-7H,8-11H2
InChIKeyIZOSNZXEDPYOCU-UHFFFAOYSA-N
XLogP1.89
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 669141
2-[4-(3,4-Dimethoxy-benzenesulfonyl)-piperazin-1-yl]-pyrimidine
CID 3159096
2-{4-[(4-Ethoxyphenyl)sulfonyl]-1-piperazinyl}pyrimidine
CID 6469507
1-(5-Fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 6472666
2-{4-[(2,5-Dimethoxyphenyl)sulfonyl]piperazino}pyrimidine
CID 3741741
Methyl 4-{[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl}phenyl ether
CID 897205
2-(4-((3-(4-Fluorophenoxy)propyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 16884387
N-(2-((6-(dimethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 45502741
N-(2-(dimethylamino)pyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 71790160
N-(2-(dimethylamino)pyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71790174
N-(2-(pyrrolidin-1-yl)pyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71790192
5-Methyl-4-(4-((4-(trifluoromethoxy)phenyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 71795091

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine (CID 31701610) is 2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine is O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is IZOSNZXEDPYOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3S/c16-15(17,18)25-12-4-1-2-5-13(12)26(23,24)22-10-8-21(9-11-22)14-19-6-3-7-20-14/h1-7H,8-11H2.
What are the key properties of 2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine?
2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 388.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 31701610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).