2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine

C17H19Cl2N3O3S — CID 122268440

IUPAC2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
SMILESCCc1cnc(OC2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)nc1
InChIInChI=1S/C17H19Cl2N3O3S/c1-2-12-9-20-17(21-10-12)25-14-4-3-7-22(11-14)26(23,24)16-8-13(18)5-6-15(16)19/h5-6,8-10,14H,2-4,7,11H2,1H3
InChIKeyPCDPDOWFDQIXII-UHFFFAOYSA-N
MW416.33 g/mol
LogP3.58
Rot. Bonds5

About 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine

2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine (PubChem CID 122268440) has the molecular formula C17H19Cl2N3O3S and a molecular weight of 416.33 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
PubChem CID122268440
Molecular FormulaC17H19Cl2N3O3S
Molecular Weight416.33 g/mol
Exact Mass415.05
IUPAC Name2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
SMILESCCc1cnc(OC2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)nc1
InChIInChI=1S/C17H19Cl2N3O3S/c1-2-12-9-20-17(21-10-12)25-14-4-3-7-22(11-14)26(23,24)16-8-13(18)5-6-15(16)19/h5-6,8-10,14H,2-4,7,11H2,1H3
InChIKeyPCDPDOWFDQIXII-UHFFFAOYSA-N
XLogP3.58
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018010
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268391
5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100836
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259645
5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122268448
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122267332
5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268447
5-ethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268466
methyl 3-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-4-methoxybenzoate
CID 122268483
methyl 3-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 122268434
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 121017608
2-[(3S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 129355041

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine (CID 122268440) is 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine is CCc1cnc(OC2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)nc1.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine?
The InChIKey is PCDPDOWFDQIXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3S/c1-2-12-9-20-17(21-10-12)25-14-4-3-7-22(11-14)26(23,24)16-8-13(18)5-6-15(16)19/h5-6,8-10,14H,2-4,7,11H2,1H3.
What are the key properties of 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine?
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine has a molecular weight of 416.33 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine is sourced from PubChem (CID 122268440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).