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3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole

C16H14ClN3O3S2 — CID 129416819

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H14ClN3O3S2/c17-13-6-7-14(24-13)25(21,22)20-9-8-12(10-20)15-18-16(23-19-15)11-4-2-1-3-5-11/h1-7,12H,8-10H2/t12-/m1/s1
InChIKeyHTRUIIRLUHJVMF-GFCCVEGCSA-N
MW395.89 g/mol
LogP3.63
Rot. Bonds4

About 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole

3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 129416819) has the molecular formula C16H14ClN3O3S2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID129416819
Molecular FormulaC16H14ClN3O3S2
Molecular Weight395.89 g/mol
Exact Mass395.02
IUPAC Name3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H14ClN3O3S2/c17-13-6-7-14(24-13)25(21,22)20-9-8-12(10-20)15-18-16(23-19-15)11-4-2-1-3-5-11/h1-7,12H,8-10H2/t12-/m1/s1
InChIKeyHTRUIIRLUHJVMF-GFCCVEGCSA-N
XLogP3.63
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole (CID 129416819) is 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole is O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1.
What is the InChIKey of 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is HTRUIIRLUHJVMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H14ClN3O3S2/c17-13-6-7-14(24-13)25(21,22)20-9-8-12(10-20)15-18-16(23-19-15)11-4-2-1-3-5-11/h1-7,12H,8-10H2/t12-/m1/s1.
What are the key properties of 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 395.89 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 129416819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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