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

C16H17Cl2N3O4S — CID 119100836

IUPAC5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C16H17Cl2N3O4S/c1-24-14-5-4-11(17)7-15(14)26(22,23)21-6-2-3-13(10-21)25-16-19-8-12(18)9-20-16/h4-5,7-9,13H,2-3,6,10H2,1H3
InChIKeyVPMYGCJDJCJWTO-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.02
Rot. Bonds5

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

5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 119100836) has the molecular formula C16H17Cl2N3O4S and a molecular weight of 418.30 g/mol. Its IUPAC name is 5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID119100836
Molecular FormulaC16H17Cl2N3O4S
Molecular Weight418.30 g/mol
Exact Mass417.03
IUPAC Name5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C16H17Cl2N3O4S/c1-24-14-5-4-11(17)7-15(14)26(22,23)21-6-2-3-13(10-21)25-16-19-8-12(18)9-20-16/h4-5,7-9,13H,2-3,6,10H2,1H3
InChIKeyVPMYGCJDJCJWTO-UHFFFAOYSA-N
XLogP3.02
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259604
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267886
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268440
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018010
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122267332
5-chloro-2-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259663
methyl 3-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-4-methoxybenzoate
CID 122268483
[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 6458860
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259645
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129418000

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 119100836) is 5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is COc1ccc(Cl)cc1S(=O)(=O)N1CCCC(Oc2ncc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is VPMYGCJDJCJWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O4S/c1-24-14-5-4-11(17)7-15(14)26(22,23)21-6-2-3-13(10-21)25-16-19-8-12(18)9-20-16/h4-5,7-9,13H,2-3,6,10H2,1H3.
What are the key properties of 5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 418.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 119100836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).