2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine

C18H20Cl2N2O3S — CID 71799633

IUPAC2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
SMILESCc1cccc(OC2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12-10-17(16(20)11-15(12)19)26(23,24)22-8-6-14(7-9-22)25-18-5-3-4-13(2)21-18/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyPCJBTWVRVPAGDQ-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.24
Rot. Bonds4

About 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine

2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine (PubChem CID 71799633) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine.

Molecular Properties

Compound Name2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
PubChem CID71799633
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
SMILESCc1cccc(OC2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12-10-17(16(20)11-15(12)19)26(23,24)22-8-6-14(7-9-22)25-18-5-3-4-13(2)21-18/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyPCJBTWVRVPAGDQ-UHFFFAOYSA-N
XLogP4.24
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-((3-Chloro-2-methylphenyl)sulfonyl)piperidin-4-yl)oxy)pyridine
CID 71798681
2-((1-((3-Chloro-2-methylphenyl)sulfonyl)piperidin-4-yl)oxy)pyridine
CID 71798681
2,4-dichloro-5-methyl-N-((1r,4r)-4-((5-(trifluoromethyl)pyridin-2-yl)oxy)cyclohexyl)benzenesulfonamide
CID 92095151
2,4-dichloro-5-methyl-N-((1r,4r)-4-((5-(trifluoromethyl)pyridin-2-yl)oxy)cyclohexyl)benzenesulfonamide
CID 92095151
(1R,3s,5S)-8-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)-3-(pyridin-2-yloxy)-8-azabicyclo[3.2.1]octane
CID 121195733
(1R,3s,5S)-8-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)-3-(pyridin-2-yloxy)-8-azabicyclo[3.2.1]octane
CID 121195733
2-((1-((2,4-Dichloro-5-methylphenyl)sulfonyl)azetidin-3-yl)oxy)-3-(trifluoromethyl)pyridine
CID 122251165
2-((1-((2,4-Dichloro-5-methylphenyl)sulfonyl)azetidin-3-yl)oxy)-6-(trifluoromethyl)pyridine
CID 122252147
2-((1-((2,4-Dichloro-5-methylphenyl)sulfonyl)azetidin-3-yl)oxy)-3-(trifluoromethyl)pyridine
CID 122251165
5-Chloro-2-((1-tosylpiperidin-4-yl)oxy)pyridine
CID 71798963
6-((1-((2,4-Dichloro-5-methylphenyl)sulfonyl)piperidin-4-yl)oxy)nicotinonitrile
CID 71799135
2-((1-((4-Chlorophenyl)sulfonyl)piperidin-4-yl)oxy)-6-methylpyridine
CID 71799621

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine?
The IUPAC name of 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine (CID 71799633) is 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine.
What is the SMILES notation for 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine?
The canonical SMILES for 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine is Cc1cccc(OC2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1.
What is the InChIKey of 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine?
The InChIKey is PCJBTWVRVPAGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-12-10-17(16(20)11-15(12)19)26(23,24)22-8-6-14(7-9-22)25-18-5-3-4-13(2)21-18/h3-5,10-11,14H,6-9H2,1-2H3.
What are the key properties of 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine?
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine has a molecular weight of 415.34 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine is sourced from PubChem (CID 71799633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).