3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C18H14ClF3N4O4S — CID 156903079

About 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 156903079) has the molecular formula C18H14ClF3N4O4S and a molecular weight of 474.85 g/mol. Its IUPAC name is 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
• PubChem CID: 156903079
• Molecular Formula: C18H14ClF3N4O4S
• Molecular Weight: 474.85 g/mol
• Exact Mass: 474.04
• IUPAC Name: 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
• SMILES: O=S(=O)(c1ccccc1Cl)N1CC[C@@H](Oc2ccc(-c3noc(C(F)(F)F)n3)cn2)C1
• InChI: InChI=1S/C18H14ClF3N4O4S/c19-13-3-1-2-4-14(13)31(27,28)26-8-7-12(10-26)29-15-6-5-11(9-23-15)16-24-17(30-25-16)18(20,21)22/h1-6,9,12H,7-8,10H2/t12-/m1/s1
• InChIKey: GLPXPWXURBLPMF-GFCCVEGCSA-N
• XLogP: 3.65
• TPSA: 98.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.85
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

The IUPAC name of 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 156903079) is 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

What is the SMILES notation for 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

The canonical SMILES for 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is O=S(=O)(c1ccccc1Cl)N1CC[C@@H](Oc2ccc(-c3noc(C(F)(F)F)n3)cn2)C1.

What is the InChIKey of 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

The InChIKey is GLPXPWXURBLPMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H14ClF3N4O4S/c19-13-3-1-2-4-14(13)31(27,28)26-8-7-12(10-26)29-15-6-5-11(9-23-15)16-24-17(30-25-16)18(20,21)22/h1-6,9,12H,7-8,10H2/t12-/m1/s1.

What are the key properties of 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 474.85 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 156903079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).