4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine

C16H17F2N3O4S — CID 122261674

IUPAC4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n1
InChIInChI=1S/C16H17F2N3O4S/c1-24-16-19-8-7-14(20-16)25-11-4-3-9-21(10-11)26(22,23)15-12(17)5-2-6-13(15)18/h2,5-8,11H,3-4,9-10H2,1H3
InChIKeyJASJZJTYFOTYKE-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.00
Rot. Bonds5

About 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine

4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine (PubChem CID 122261674) has the molecular formula C16H17F2N3O4S and a molecular weight of 385.39 g/mol. Its IUPAC name is 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
PubChem CID122261674
Molecular FormulaC16H17F2N3O4S
Molecular Weight385.39 g/mol
Exact Mass385.09
IUPAC Name4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n1
InChIInChI=1S/C16H17F2N3O4S/c1-24-16-19-8-7-14(20-16)25-11-4-3-9-21(10-11)26(22,23)15-12(17)5-2-6-13(15)18/h2,5-8,11H,3-4,9-10H2,1H3
InChIKeyJASJZJTYFOTYKE-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

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Related Compounds

4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258167
4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261730
4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261682
1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122261669
4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261639
2-methoxy-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161640
2-methoxy-4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161670
2-chloro-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122261251
4-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161710
2-methyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261104

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
The IUPAC name of 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine (CID 122261674) is 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine.
What is the SMILES notation for 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
The canonical SMILES for 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine is COc1nccc(OC2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n1.
What is the InChIKey of 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
The InChIKey is JASJZJTYFOTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O4S/c1-24-16-19-8-7-14(20-16)25-11-4-3-9-21(10-11)26(22,23)15-12(17)5-2-6-13(15)18/h2,5-8,11H,3-4,9-10H2,1H3.
What are the key properties of 4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-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-3-yl]oxy-2-methoxypyrimidine is sourced from PubChem (CID 122261674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).