1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine

C17H27ClN4O3S — CID 60500567

IUPAC1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)N2CCN(CCOc3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H27ClN4O3S/c1-19-5-9-21(10-6-19)26(23,24)22-11-7-20(8-12-22)13-14-25-17-4-2-3-16(18)15-17/h2-4,15H,5-14H2,1H3
InChIKeyIMHCNEKWEXFAPW-UHFFFAOYSA-N
MW402.95 g/mol
LogP0.83
Rot. Bonds6

About 1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine

1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine (PubChem CID 60500567) has the molecular formula C17H27ClN4O3S and a molecular weight of 402.95 g/mol. Its IUPAC name is 1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine
PubChem CID60500567
Molecular FormulaC17H27ClN4O3S
Molecular Weight402.95 g/mol
Exact Mass402.15
IUPAC Name1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)N2CCN(CCOc3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H27ClN4O3S/c1-19-5-9-21(10-6-19)26(23,24)22-11-7-20(8-12-22)13-14-25-17-4-2-3-16(18)15-17/h2-4,15H,5-14H2,1H3
InChIKeyIMHCNEKWEXFAPW-UHFFFAOYSA-N
XLogP0.83
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine 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

1-[2-(3-chlorophenoxy)ethyl]-4-(3-fluorophenyl)sulfonylpiperazine
CID 18082849
1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 8757842
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101220
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 19085401
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126737
5-(3-chlorophenyl)-2-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 60500597
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine;hydrochloride
CID 2993253
3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzonitrile
CID 60980737
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine
CID 36931838

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine?
The IUPAC name of 1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine (CID 60500567) is 1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)N2CCN(CCOc3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of 1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine?
The InChIKey is IMHCNEKWEXFAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O3S/c1-19-5-9-21(10-6-19)26(23,24)22-11-7-20(8-12-22)13-14-25-17-4-2-3-16(18)15-17/h2-4,15H,5-14H2,1H3.
What are the key properties of 1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine?
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine has a molecular weight of 402.95 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine is sourced from PubChem (CID 60500567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).