4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine

C18H22FN3O3S — CID 119100703

IUPAC4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine
SMILESCc1cc(OC2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nc(C)n1
InChIInChI=1S/C18H22FN3O3S/c1-12-10-15(19)4-5-17(12)26(23,24)22-8-6-16(7-9-22)25-18-11-13(2)20-14(3)21-18/h4-5,10-11,16H,6-9H2,1-3H3
InChIKeyXRPNNNYXFASOJU-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.77
Rot. Bonds4

About 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine

4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine (PubChem CID 119100703) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine
PubChem CID119100703
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine
SMILESCc1cc(OC2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nc(C)n1
InChIInChI=1S/C18H22FN3O3S/c1-12-10-15(19)4-5-17(12)26(23,24)22-8-6-16(7-9-22)25-18-11-13(2)20-14(3)21-18/h4-5,10-11,16H,6-9H2,1-3H3
InChIKeyXRPNNNYXFASOJU-UHFFFAOYSA-N
XLogP2.77
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine?
The IUPAC name of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine (CID 119100703) is 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine is Cc1cc(OC2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)nc(C)n1.
What is the InChIKey of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine?
The InChIKey is XRPNNNYXFASOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-12-10-15(19)4-5-17(12)26(23,24)22-8-6-16(7-9-22)25-18-11-13(2)20-14(3)21-18/h4-5,10-11,16H,6-9H2,1-3H3.
What are the key properties of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine?
4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine has a molecular weight of 379.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine is sourced from PubChem (CID 119100703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).