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

C18H15Cl2N3O3S — CID 3758767

IUPAC3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC1c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C18H15Cl2N3O3S/c19-13-7-2-1-6-12(13)17-21-18(26-22-17)15-9-5-11-23(15)27(24,25)16-10-4-3-8-14(16)20/h1-4,6-8,10,15H,5,9,11H2
InChIKeyLQJKYLSHHLNEMI-UHFFFAOYSA-N
MW424.31 g/mol
LogP4.57
Rot. Bonds4

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

3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 3758767) has the molecular formula C18H15Cl2N3O3S and a molecular weight of 424.31 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID3758767
Molecular FormulaC18H15Cl2N3O3S
Molecular Weight424.31 g/mol
Exact Mass423.02
IUPAC Name3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC1c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C18H15Cl2N3O3S/c19-13-7-2-1-6-12(13)17-21-18(26-22-17)15-9-5-11-23(15)27(24,25)16-10-4-3-8-14(16)20/h1-4,6-8,10,15H,5,9,11H2
InChIKeyLQJKYLSHHLNEMI-UHFFFAOYSA-N
XLogP4.57
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S)-1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 93071714
[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
CID 91888614
5-[(2R)-1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 95116721
3-(4-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 3959570
1-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 91888620
5-[(2R)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95116742
N-[2-chloro-4-[(2R)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 95116760
[(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 91916551
5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 3930433
3-phenyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93071699
1-[(2R)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 125127100
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46667151

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole (CID 3758767) is 3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole is O=S(=O)(c1ccccc1Cl)N1CCCC1c1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is LQJKYLSHHLNEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3S/c19-13-7-2-1-6-12(13)17-21-18(26-22-17)15-9-5-11-23(15)27(24,25)16-10-4-3-8-14(16)20/h1-4,6-8,10,15H,5,9,11H2.
What are the key properties of 3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 424.31 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 3758767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).