2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

C18H19ClN4O3S2 — CID 33185906

IUPAC2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CN3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)o2)cc1
InChIInChI=1S/C18H19ClN4O3S2/c1-13-2-4-14(5-3-13)18-21-20-16(26-18)12-22-8-10-23(11-9-22)28(24,25)17-7-6-15(19)27-17/h2-7H,8-12H2,1H3
InChIKeyFEHSSAJYUBKRHS-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.27
Rot. Bonds5

About 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 33185906) has the molecular formula C18H19ClN4O3S2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID33185906
Molecular FormulaC18H19ClN4O3S2
Molecular Weight438.96 g/mol
Exact Mass438.06
IUPAC Name2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CN3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)o2)cc1
InChIInChI=1S/C18H19ClN4O3S2/c1-13-2-4-14(5-3-13)18-21-20-16(26-18)12-22-8-10-23(11-9-22)28(24,25)17-7-6-15(19)27-17/h2-7H,8-12H2,1H3
InChIKeyFEHSSAJYUBKRHS-UHFFFAOYSA-N
XLogP3.27
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole
CID 46562847
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407
2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 27128804
1-(5-bromothiophen-2-yl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine
CID 9442908
2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 31872518
5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 78832778
(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 33218328
2-(furan-2-yl)-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 27125233
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684812
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 33185906) is 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(CN3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)o2)cc1.
What is the InChIKey of 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is FEHSSAJYUBKRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S2/c1-13-2-4-14(5-3-13)18-21-20-16(26-18)12-22-8-10-23(11-9-22)28(24,25)17-7-6-15(19)27-17/h2-7H,8-12H2,1H3.
What are the key properties of 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 438.96 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 33185906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).