2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole

C21H23ClN4O3S2 — CID 53068292

IUPAC2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(-c2nnc(C3CCCC3)o2)s1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H23ClN4O3S2/c22-16-6-3-7-17(14-16)25-10-12-26(13-11-25)31(27,28)19-9-8-18(30-19)21-24-23-20(29-21)15-4-1-2-5-15/h3,6-9,14-15H,1-2,4-5,10-13H2
InChIKeyQESSNJCPTCLUOW-UHFFFAOYSA-N
MW479.03 g/mol
LogP4.62
Rot. Bonds5

About 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole

2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole (PubChem CID 53068292) has the molecular formula C21H23ClN4O3S2 and a molecular weight of 479.03 g/mol. Its IUPAC name is 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole
PubChem CID53068292
Molecular FormulaC21H23ClN4O3S2
Molecular Weight479.03 g/mol
Exact Mass478.09
IUPAC Name2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(-c2nnc(C3CCCC3)o2)s1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H23ClN4O3S2/c22-16-6-3-7-17(14-16)25-10-12-26(13-11-25)31(27,28)19-9-8-18(30-19)21-24-23-20(29-21)15-4-1-2-5-15/h3,6-9,14-15H,1-2,4-5,10-13H2
InChIKeyQESSNJCPTCLUOW-UHFFFAOYSA-N
XLogP4.62
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.03
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole
CID 53068295
1-(3-chlorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
CID 20947441
2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole
CID 53068043
1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664
2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175917
2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175610
1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1260990
2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568392
N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068247
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520514
N-(3-chloro-4-fluorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068175
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole (CID 53068292) is 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole is O=S(=O)(c1ccc(-c2nnc(C3CCCC3)o2)s1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole?
The InChIKey is QESSNJCPTCLUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S2/c22-16-6-3-7-17(14-16)25-10-12-26(13-11-25)31(27,28)19-9-8-18(30-19)21-24-23-20(29-21)15-4-1-2-5-15/h3,6-9,14-15H,1-2,4-5,10-13H2.
What are the key properties of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole?
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole has a molecular weight of 479.03 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole is sourced from PubChem (CID 53068292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).