2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

C20H20ClN3O3S — CID 53097974

IUPAC2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H20ClN3O3S/c1-14-9-10-15(13-18(14)28(25,26)24-11-5-2-6-12-24)19-22-23-20(27-19)16-7-3-4-8-17(16)21/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChIKeyQPCGQUQOJUBYOY-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.54
Rot. Bonds4

About 2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole (PubChem CID 53097974) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
PubChem CID53097974
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H20ClN3O3S/c1-14-9-10-15(13-18(14)28(25,26)24-11-5-2-6-12-24)19-22-23-20(27-19)16-7-3-4-8-17(16)21/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChIKeyQPCGQUQOJUBYOY-UHFFFAOYSA-N
XLogP4.54
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 53098039
2-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 53009753
4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
CID 53098016
2-(3,4-dimethoxyphenyl)-5-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 53098024
2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 112813640
1-[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]azepane
CID 53104590
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-piperidin-1-ylsulfonylaniline
CID 112796538
2-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 53098002
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3H-quinazolin-4-one
CID 135413659
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 134012902

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole (CID 53097974) is 2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole?
The InChIKey is QPCGQUQOJUBYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-14-9-10-15(13-18(14)28(25,26)24-11-5-2-6-12-24)19-22-23-20(27-19)16-7-3-4-8-17(16)21/h3-4,7-10,13H,2,5-6,11-12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole has a molecular weight of 417.92 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53097974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).