4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine

C16H17F2N3O4S — CID 121161681

IUPAC4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C16H17F2N3O4S/c1-24-16-19-8-5-14(20-16)25-11-6-9-21(10-7-11)26(22,23)15-12(17)3-2-4-13(15)18/h2-5,8,11H,6-7,9-10H2,1H3
InChIKeyBPYBTVFOZZGHNC-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.00
Rot. Bonds5

About 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine

4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine (PubChem CID 121161681) has the molecular formula C16H17F2N3O4S and a molecular weight of 385.39 g/mol. Its IUPAC name is 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
PubChem CID121161681
Molecular FormulaC16H17F2N3O4S
Molecular Weight385.39 g/mol
Exact Mass385.09
IUPAC Name4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C16H17F2N3O4S/c1-24-16-19-8-5-14(20-16)25-11-6-9-21(10-7-11)26(22,23)15-12(17)3-2-4-13(15)18/h2-5,8,11H,6-7,9-10H2,1H3
InChIKeyBPYBTVFOZZGHNC-UHFFFAOYSA-N
XLogP2.00
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The IUPAC name of 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine (CID 121161681) is 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine.
What is the SMILES notation for 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The canonical SMILES for 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine is COc1nccc(OC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1.
What is the InChIKey of 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The InChIKey is BPYBTVFOZZGHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O4S/c1-24-16-19-8-5-14(20-16)25-11-6-9-21(10-7-11)26(22,23)15-12(17)3-2-4-13(15)18/h2-5,8,11H,6-7,9-10H2,1H3.
What are the key properties of 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine has a molecular weight of 385.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine is sourced from PubChem (CID 121161681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).