5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole

C16H20Cl2N4O3S — CID 18167576

IUPAC5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1
InChIInChI=1S/C16H20Cl2N4O3S/c1-2-3-15-19-16(25-20-15)11-21-6-8-22(9-7-21)26(23,24)14-10-12(17)4-5-13(14)18/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyYVTUPCVMEZPXBA-UHFFFAOYSA-N
MW419.33 g/mol
LogP2.84
Rot. Bonds6

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

5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 18167576) has the molecular formula C16H20Cl2N4O3S and a molecular weight of 419.33 g/mol. Its IUPAC name is 5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID18167576
Molecular FormulaC16H20Cl2N4O3S
Molecular Weight419.33 g/mol
Exact Mass418.06
IUPAC Name5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1
InChIInChI=1S/C16H20Cl2N4O3S/c1-2-3-15-19-16(25-20-15)11-21-6-8-22(9-7-21)26(23,24)14-10-12(17)4-5-13(14)18/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyYVTUPCVMEZPXBA-UHFFFAOYSA-N
XLogP2.84
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18167572
5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 18167609
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 24585756
1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine
CID 22208359
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 32873847
1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 6957242
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 29001704
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine
CID 19582940
3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 60570904
5-[[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16608383
3-propan-2-yl-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55525035

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (CID 18167576) is 5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1.
What is the InChIKey of 5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is YVTUPCVMEZPXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O3S/c1-2-3-15-19-16(25-20-15)11-21-6-8-22(9-7-21)26(23,24)14-10-12(17)4-5-13(14)18/h4-5,10H,2-3,6-9,11H2,1H3.
What are the key properties of 5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 419.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 18167576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).