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

C15H15Cl2N3O3S — CID 122267332

IUPAC5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C15H15Cl2N3O3S/c16-11-8-18-15(19-9-11)23-12-4-3-7-20(10-12)24(21,22)14-6-2-1-5-13(14)17/h1-2,5-6,8-9,12H,3-4,7,10H2
InChIKeyYRHYQSGOZQUCEH-UHFFFAOYSA-N
MW388.28 g/mol
LogP3.02
Rot. Bonds4

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

5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 122267332) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID122267332
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C15H15Cl2N3O3S/c16-11-8-18-15(19-9-11)23-12-4-3-7-20(10-12)24(21,22)14-6-2-1-5-13(14)17/h1-2,5-6,8-9,12H,3-4,7,10H2
InChIKeyYRHYQSGOZQUCEH-UHFFFAOYSA-N
XLogP3.02
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 53.02
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
5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100836
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268440
2-(1-benzylsulfonylpiperidin-3-yl)oxy-5-chloropyrimidine
CID 122259616
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259645
5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259604
5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122268448
5-chloro-2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122259676
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
5-chloro-2-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259663
5-ethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268466
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 122267332) is 5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine is O=S(=O)(c1ccccc1Cl)N1CCCC(Oc2ncc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is YRHYQSGOZQUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c16-11-8-18-15(19-9-11)23-12-4-3-7-20(10-12)24(21,22)14-6-2-1-5-13(14)17/h1-2,5-6,8-9,12H,3-4,7,10H2.
What are the key properties of 5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 388.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122267332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).