5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine

C17H20ClN3O5S — CID 122259604

IUPAC5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)cc1OC
InChIInChI=1S/C17H20ClN3O5S/c1-24-15-6-5-14(8-16(15)25-2)27(22,23)21-7-3-4-13(11-21)26-17-19-9-12(18)10-20-17/h5-6,8-10,13H,3-4,7,11H2,1-2H3
InChIKeyUKLRQDYOTSFYBK-UHFFFAOYSA-N
MW413.88 g/mol
LogP2.38
Rot. Bonds6

About 5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine

5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 122259604) has the molecular formula C17H20ClN3O5S and a molecular weight of 413.88 g/mol. Its IUPAC name is 5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID122259604
Molecular FormulaC17H20ClN3O5S
Molecular Weight413.88 g/mol
Exact Mass413.08
IUPAC Name5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)cc1OC
InChIInChI=1S/C17H20ClN3O5S/c1-24-15-6-5-14(8-16(15)25-2)27(22,23)21-7-3-4-13(11-21)26-17-19-9-12(18)10-20-17/h5-6,8-10,13H,3-4,7,11H2,1-2H3
InChIKeyUKLRQDYOTSFYBK-UHFFFAOYSA-N
XLogP2.38
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100836
5-chloro-2-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259663
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259645
5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 122267256
5-chloro-2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122259676
5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268447
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122267332
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
5-chloro-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidin-2-amine
CID 155941623
[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7258408
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267886
2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 122259604) is 5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)cc1OC.
What is the InChIKey of 5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is UKLRQDYOTSFYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5S/c1-24-15-6-5-14(8-16(15)25-2)27(22,23)21-7-3-4-13(11-21)26-17-19-9-12(18)10-20-17/h5-6,8-10,13H,3-4,7,11H2,1-2H3.
What are the key properties of 5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 413.88 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122259604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).