2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine

C26H23FN4O3S — CID 46081952

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1
InChIInChI=1S/C26H23FN4O3S/c27-21-8-12-24(13-9-21)35(32,33)31-18-16-30(17-19-31)26-28-15-14-25(29-26)20-6-10-23(11-7-20)34-22-4-2-1-3-5-22/h1-15H,16-19H2
InChIKeyBTGORYYJBJUQHU-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.59
Rot. Bonds6

About 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine (PubChem CID 46081952) has the molecular formula C26H23FN4O3S and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine
PubChem CID46081952
Molecular FormulaC26H23FN4O3S
Molecular Weight490.56 g/mol
Exact Mass490.15
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1
InChIInChI=1S/C26H23FN4O3S/c27-21-8-12-24(13-9-21)35(32,33)31-18-16-30(17-19-31)26-28-15-14-25(29-26)20-6-10-23(11-7-20)34-22-4-2-1-3-5-22/h1-15H,16-19H2
InChIKeyBTGORYYJBJUQHU-UHFFFAOYSA-N
XLogP4.59
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 46081977
[3-fluoro-5-(trifluoromethyl)phenyl]-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46081990
1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68546883
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 42474236
(6-chloro-3-pyridinyl)-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46081731
4-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 56696039
ethyl 4-oxo-4-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butanoate
CID 46081743
4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 122344045
1-(4-phenoxyphenyl)sulfonylpiperidine
CID 779936
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 46082049
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 852139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine (CID 46081952) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine is O=S(=O)(c1ccc(F)cc1)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine?
The InChIKey is BTGORYYJBJUQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3S/c27-21-8-12-24(13-9-21)35(32,33)31-18-16-30(17-19-31)26-28-15-14-25(29-26)20-6-10-23(11-7-20)34-22-4-2-1-3-5-22/h1-15H,16-19H2.
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine has a molecular weight of 490.56 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine is sourced from PubChem (CID 46081952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).