4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine

C16H18FN3O4S — CID 121161671

IUPAC4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1
InChIInChI=1S/C16H18FN3O4S/c1-23-16-18-8-5-15(19-16)24-13-6-9-20(10-7-13)25(21,22)14-4-2-3-12(17)11-14/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyYSSOKCYKZUGTJC-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.86
Rot. Bonds5

About 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine

4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine (PubChem CID 121161671) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
PubChem CID121161671
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Name4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1
InChIInChI=1S/C16H18FN3O4S/c1-23-16-18-8-5-15(19-16)24-13-6-9-20(10-7-13)25(21,22)14-4-2-3-12(17)11-14/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyYSSOKCYKZUGTJC-UHFFFAOYSA-N
XLogP1.86
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The IUPAC name of 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine (CID 121161671) is 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine.
What is the SMILES notation for 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The canonical SMILES for 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine is COc1nccc(OC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1.
What is the InChIKey of 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The InChIKey is YSSOKCYKZUGTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-23-16-18-8-5-15(19-16)24-13-6-9-20(10-7-13)25(21,22)14-4-2-3-12(17)11-14/h2-5,8,11,13H,6-7,9-10H2,1H3.
What are the key properties of 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine has a molecular weight of 367.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine is sourced from PubChem (CID 121161671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).