3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole

C17H15ClFN3O3S2 — CID 53130736

IUPAC3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC(c2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C17H15ClFN3O3S2/c18-14-5-6-15(26-14)27(23,24)22-9-7-11(8-10-22)16-20-17(25-21-16)12-1-3-13(19)4-2-12/h1-6,11H,7-10H2
InChIKeyWBXZGICQWSDKIY-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.16
Rot. Bonds4

About 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole

3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 53130736) has the molecular formula C17H15ClFN3O3S2 and a molecular weight of 427.91 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID53130736
Molecular FormulaC17H15ClFN3O3S2
Molecular Weight427.91 g/mol
Exact Mass427.02
IUPAC Name3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC(c2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C17H15ClFN3O3S2/c18-14-5-6-15(26-14)27(23,24)22-9-7-11(8-10-22)16-20-17(25-21-16)12-1-3-13(19)4-2-12/h1-6,11H,7-10H2
InChIKeyWBXZGICQWSDKIY-UHFFFAOYSA-N
XLogP4.16
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole (CID 53130736) is 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole is O=S(=O)(c1ccc(Cl)s1)N1CCC(c2noc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is WBXZGICQWSDKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3S2/c18-14-5-6-15(26-14)27(23,24)22-9-7-11(8-10-22)16-20-17(25-21-16)12-1-3-13(19)4-2-12/h1-6,11H,7-10H2.
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole?
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 427.91 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53130736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).