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

C17H20ClN3O3S — CID 122259645

IUPAC5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-2-13-5-7-16(8-6-13)25(22,23)21-9-3-4-15(12-21)24-17-19-10-14(18)11-20-17/h5-8,10-11,15H,2-4,9,12H2,1H3
InChIKeyGLRWARIMNDRUJS-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.92
Rot. Bonds5

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

5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 122259645) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID122259645
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-2-13-5-7-16(8-6-13)25(22,23)21-9-3-4-15(12-21)24-17-19-10-14(18)11-20-17/h5-8,10-11,15H,2-4,9,12H2,1H3
InChIKeyGLRWARIMNDRUJS-UHFFFAOYSA-N
XLogP2.92
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259663
5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259604
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268440
5-chloro-2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122259676
4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261682
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
2-(1-benzylsulfonylpiperidin-3-yl)oxy-5-chloropyrimidine
CID 122259616
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 122268086
5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100836
6-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122268486
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268391

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 122259645) is 5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is CCc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)cc1.
What is the InChIKey of 5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is GLRWARIMNDRUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-2-13-5-7-16(8-6-13)25(22,23)21-9-3-4-15(12-21)24-17-19-10-14(18)11-20-17/h5-8,10-11,15H,2-4,9,12H2,1H3.
What are the key properties of 5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 381.89 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122259645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).