4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine

C17H20ClN3O5S — CID 121161732

IUPAC4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)n1
InChIInChI=1S/C17H20ClN3O5S/c1-24-14-4-3-12(18)11-15(14)27(22,23)21-9-6-13(7-10-21)26-16-5-8-19-17(20-16)25-2/h3-5,8,11,13H,6-7,9-10H2,1-2H3
InChIKeyZBPNXDYDSDRZOP-UHFFFAOYSA-N
MW413.88 g/mol
LogP2.38
Rot. Bonds6

About 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine

4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine (PubChem CID 121161732) has the molecular formula C17H20ClN3O5S and a molecular weight of 413.88 g/mol. Its IUPAC name is 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
PubChem CID121161732
Molecular FormulaC17H20ClN3O5S
Molecular Weight413.88 g/mol
Exact Mass413.08
IUPAC Name4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)n1
InChIInChI=1S/C17H20ClN3O5S/c1-24-14-4-3-12(18)11-15(14)27(22,23)21-9-6-13(7-10-21)26-16-5-8-19-17(20-16)25-2/h3-5,8,11,13H,6-7,9-10H2,1-2H3
InChIKeyZBPNXDYDSDRZOP-UHFFFAOYSA-N
XLogP2.38
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine
CID 121162883
4-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161710
4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261639
2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129418000
2-methoxy-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161640
2-methoxy-4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161670
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161690
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267886
N-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methylpyrimidin-4-amine
CID 171336303
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 134161125
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The IUPAC name of 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine (CID 121161732) is 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine.
What is the SMILES notation for 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The canonical SMILES for 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine is COc1nccc(OC2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)n1.
What is the InChIKey of 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
The InChIKey is ZBPNXDYDSDRZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5S/c1-24-14-4-3-12(18)11-15(14)27(22,23)21-9-6-13(7-10-21)26-16-5-8-19-17(20-16)25-2/h3-5,8,11,13H,6-7,9-10H2,1-2H3.
What are the key properties of 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine?
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine has a molecular weight of 413.88 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine is sourced from PubChem (CID 121161732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).