5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide

C17H19FN4O5S — CID 122267256

IUPAC5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)cc1C(N)=O
InChIInChI=1S/C17H19FN4O5S/c1-26-15-5-4-13(7-14(15)16(19)23)28(24,25)22-6-2-3-12(10-22)27-17-20-8-11(18)9-21-17/h4-5,7-9,12H,2-3,6,10H2,1H3,(H2,19,23)
InChIKeyHZOAVEIZGVAJBY-UHFFFAOYSA-N
MW410.43 g/mol
LogP0.96
Rot. Bonds6

About 5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide

5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide (PubChem CID 122267256) has the molecular formula C17H19FN4O5S and a molecular weight of 410.43 g/mol. Its IUPAC name is 5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide
PubChem CID122267256
Molecular FormulaC17H19FN4O5S
Molecular Weight410.43 g/mol
Exact Mass410.11
IUPAC Name5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)cc1C(N)=O
InChIInChI=1S/C17H19FN4O5S/c1-26-15-5-4-13(7-14(15)16(19)23)28(24,25)22-6-2-3-12(10-22)27-17-20-8-11(18)9-21-17/h4-5,7-9,12H,2-3,6,10H2,1H3,(H2,19,23)
InChIKeyHZOAVEIZGVAJBY-UHFFFAOYSA-N
XLogP0.96
TPSA124.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259604
5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268447
5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018022
5-chloro-2-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259663
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 107216444
6-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122267262
2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide
CID 155801171
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259163
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258626

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide?
The IUPAC name of 5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide (CID 122267256) is 5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide.
What is the SMILES notation for 5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide?
The canonical SMILES for 5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)cc1C(N)=O.
What is the InChIKey of 5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide?
The InChIKey is HZOAVEIZGVAJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O5S/c1-26-15-5-4-13(7-14(15)16(19)23)28(24,25)22-6-2-3-12(10-22)27-17-20-8-11(18)9-21-17/h4-5,7-9,12H,2-3,6,10H2,1H3,(H2,19,23).
What are the key properties of 5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide?
5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide has a molecular weight of 410.43 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide is sourced from PubChem (CID 122267256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).