2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

C18H16Cl2N4O3S — CID 110235511

IUPAC2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCC(c2nnc(-c3ccccn3)o2)C1
InChIInChI=1S/C18H16Cl2N4O3S/c19-14-7-6-13(10-15(14)20)28(25,26)24-9-3-4-12(11-24)17-22-23-18(27-17)16-5-1-2-8-21-16/h1-2,5-8,10,12H,3-4,9,11H2
InChIKeyHAKISGQPORDXEZ-UHFFFAOYSA-N
MW439.32 g/mol
LogP4.01
Rot. Bonds4

About 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 110235511) has the molecular formula C18H16Cl2N4O3S and a molecular weight of 439.32 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID110235511
Molecular FormulaC18H16Cl2N4O3S
Molecular Weight439.32 g/mol
Exact Mass438.03
IUPAC Name2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCC(c2nnc(-c3ccccn3)o2)C1
InChIInChI=1S/C18H16Cl2N4O3S/c19-14-7-6-13(10-15(14)20)28(25,26)24-9-3-4-12(11-24)17-22-23-18(27-17)16-5-1-2-8-21-16/h1-2,5-8,10,12H,3-4,9,11H2
InChIKeyHAKISGQPORDXEZ-UHFFFAOYSA-N
XLogP4.01
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235508
2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92577744
2-[(3R)-1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99963961
2-[1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 132944448
2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568392
2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92568226
2-[(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 99963554
2-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 132672869
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 63397150
2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 95849799
2-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569570
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569569

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 110235511) is 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCC(c2nnc(-c3ccccn3)o2)C1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is HAKISGQPORDXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3S/c19-14-7-6-13(10-15(14)20)28(25,26)24-9-3-4-12(11-24)17-22-23-18(27-17)16-5-1-2-8-21-16/h1-2,5-8,10,12H,3-4,9,11H2.
What are the key properties of 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 439.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110235511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).