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

C15H15Cl2N3O3S — CID 121018010

IUPAC2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C15H15Cl2N3O3S/c16-11-4-5-13(17)14(9-11)24(21,22)20-8-1-3-12(10-20)23-15-18-6-2-7-19-15/h2,4-7,9,12H,1,3,8,10H2
InChIKeySOILRVXDMLJIFD-UHFFFAOYSA-N
MW388.28 g/mol
LogP3.02
Rot. Bonds4

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

2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 121018010) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID121018010
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C15H15Cl2N3O3S/c16-11-4-5-13(17)14(9-11)24(21,22)20-8-1-3-12(10-20)23-15-18-6-2-7-19-15/h2,4-7,9,12H,1,3,8,10H2
InChIKeySOILRVXDMLJIFD-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]oxy-5-ethylpyrimidine
CID 122268440
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122267332
5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100836
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
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122257613
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267886
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole
CID 122257661
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727112

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 121018010) is 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is SOILRVXDMLJIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c16-11-4-5-13(17)14(9-11)24(21,22)20-8-1-3-12(10-20)23-15-18-6-2-7-19-15/h2,4-7,9,12H,1,3,8,10H2.
What are the key properties of 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
2-[1-(2,5-dichlorophenyl)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 2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 121018010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).