5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine

C16H15F4N3O4S — CID 121018022

IUPAC5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H15F4N3O4S/c17-11-8-21-15(22-9-11)26-13-2-1-7-23(10-13)28(24,25)14-5-3-12(4-6-14)27-16(18,19)20/h3-6,8-9,13H,1-2,7,10H2
InChIKeyLEIRELHIECKBDX-UHFFFAOYSA-N
MW421.37 g/mol
LogP2.75
Rot. Bonds5

About 5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine

5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 121018022) has the molecular formula C16H15F4N3O4S and a molecular weight of 421.37 g/mol. Its IUPAC name is 5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID121018022
Molecular FormulaC16H15F4N3O4S
Molecular Weight421.37 g/mol
Exact Mass421.07
IUPAC Name5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H15F4N3O4S/c17-11-8-21-15(22-9-11)26-13-2-1-7-23(10-13)28(24,25)14-5-3-12(4-6-14)27-16(18,19)20/h3-6,8-9,13H,1-2,7,10H2
InChIKeyLEIRELHIECKBDX-UHFFFAOYSA-N
XLogP2.75
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122258159
5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258626
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
6-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122267262
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259645
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 122258636
5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 122267256
5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258659
5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259163
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122257613
5-ethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268466
N-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 26412918

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine (CID 121018022) is 5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is LEIRELHIECKBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O4S/c17-11-8-21-15(22-9-11)26-13-2-1-7-23(10-13)28(24,25)14-5-3-12(4-6-14)27-16(18,19)20/h3-6,8-9,13H,1-2,7,10H2.
What are the key properties of 5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine?
5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 421.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 121018022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).