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

C16H17F2N3O4S — CID 121161656

IUPAC4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C16H17F2N3O4S/c1-24-16-19-7-4-15(20-16)25-12-5-8-21(9-6-12)26(22,23)14-3-2-11(17)10-13(14)18/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyKXWLEIDCJHAJBX-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.00
Rot. Bonds5

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

4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine (PubChem CID 121161656) has the molecular formula C16H17F2N3O4S and a molecular weight of 385.39 g/mol. Its IUPAC name is 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
PubChem CID121161656
Molecular FormulaC16H17F2N3O4S
Molecular Weight385.39 g/mol
Exact Mass385.09
IUPAC Name4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C16H17F2N3O4S/c1-24-16-19-7-4-15(20-16)25-12-5-8-21(9-6-12)26(22,23)14-3-2-11(17)10-13(14)18/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyKXWLEIDCJHAJBX-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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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The IUPAC name of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine (CID 121161656) is 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine.
What is the SMILES notation for 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The canonical SMILES for 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine is COc1nccc(OC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1.
What is the InChIKey of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The InChIKey is KXWLEIDCJHAJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O4S/c1-24-16-19-7-4-15(20-16)25-12-5-8-21(9-6-12)26(22,23)14-3-2-11(17)10-13(14)18/h2-4,7,10,12H,5-6,8-9H2,1H3.
What are the key properties of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
4-[1-(2,4-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-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine is sourced from PubChem (CID 121161656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).