1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone

C16H18Cl2N4O4S2 — CID 46482252

IUPAC1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
SMILESCc1nc(CSCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)no1
InChIInChI=1S/C16H18Cl2N4O4S2/c1-11-19-14(20-26-11)9-27-10-15(23)21-5-7-22(8-6-21)28(24,25)16-12(17)3-2-4-13(16)18/h2-4H,5-10H2,1H3
InChIKeyRPNGEWMNILGTDE-UHFFFAOYSA-N
MW465.38 g/mol
LogP2.45
Rot. Bonds6

About 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone

1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone (PubChem CID 46482252) has the molecular formula C16H18Cl2N4O4S2 and a molecular weight of 465.38 g/mol. Its IUPAC name is 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
PubChem CID46482252
Molecular FormulaC16H18Cl2N4O4S2
Molecular Weight465.38 g/mol
Exact Mass464.01
IUPAC Name1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
SMILESCc1nc(CSCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)no1
InChIInChI=1S/C16H18Cl2N4O4S2/c1-11-19-14(20-26-11)9-27-10-15(23)21-5-7-22(8-6-21)28(24,25)16-12(17)3-2-4-13(16)18/h2-4H,5-10H2,1H3
InChIKeyRPNGEWMNILGTDE-UHFFFAOYSA-N
XLogP2.45
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 155944479
N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide
CID 55796271
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 55791592
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 46489625
2-amino-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119270072
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 27757740
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 46797516
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 31306830
1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
CID 46492743
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 30885271
methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate
CID 46435299
1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
CID 51134571

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone?
The IUPAC name of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone (CID 46482252) is 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone?
The canonical SMILES for 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone is Cc1nc(CSCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)no1.
What is the InChIKey of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone?
The InChIKey is RPNGEWMNILGTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O4S2/c1-11-19-14(20-26-11)9-27-10-15(23)21-5-7-22(8-6-21)28(24,25)16-12(17)3-2-4-13(16)18/h2-4H,5-10H2,1H3.
What are the key properties of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone?
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone has a molecular weight of 465.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone is sourced from PubChem (CID 46482252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).