5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

C17H16ClN3O3S2 — CID 3226245

IUPAC5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCC(c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C17H16ClN3O3S2/c18-13-5-1-6-14(10-13)26(22,23)21-8-2-4-12(11-21)17-19-16(20-24-17)15-7-3-9-25-15/h1,3,5-7,9-10,12H,2,4,8,11H2
InChIKeyBGPRZFDZHWNOBJ-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.02
Rot. Bonds4

About 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 3226245) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID3226245
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC Name5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCC(c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C17H16ClN3O3S2/c18-13-5-1-6-14(10-13)26(22,23)21-8-2-4-12(11-21)17-19-16(20-24-17)15-7-3-9-25-15/h1,3,5-7,9-10,12H,2,4,8,11H2
InChIKeyBGPRZFDZHWNOBJ-UHFFFAOYSA-N
XLogP4.02
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568392
5-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 6557844
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1456856
3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110224432
3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92875105
5-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 3225926
3-(3-methoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
CID 45498956
5-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 1456687
3-(2-bromophenyl)-5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 45498888
5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 45498638
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
5-[1-(benzenesulfonyl)azetidin-3-yl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 121095496

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 3226245) is 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is O=S(=O)(c1cccc(Cl)c1)N1CCCC(c2nc(-c3cccs3)no2)C1.
What is the InChIKey of 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is BGPRZFDZHWNOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c18-13-5-1-6-14(10-13)26(22,23)21-8-2-4-12(11-21)17-19-16(20-24-17)15-7-3-9-25-15/h1,3,5-7,9-10,12H,2,4,8,11H2.
What are the key properties of 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 409.92 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 3226245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).