1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine

C13H18Cl2N2O2S — CID 113080453

IUPAC1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2O2S/c1-2-10-20(18,19)17-8-6-16(7-9-17)13-11(14)4-3-5-12(13)15/h3-5H,2,6-10H2,1H3
InChIKeyHCLRIKVQAIIGIM-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.86
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine

1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine (PubChem CID 113080453) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
PubChem CID113080453
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2O2S/c1-2-10-20(18,19)17-8-6-16(7-9-17)13-11(14)4-3-5-12(13)15/h3-5H,2,6-10H2,1H3
InChIKeyHCLRIKVQAIIGIM-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine 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

4-(2,5-dichlorophenyl)-N,N-dimethyl-1-piperazinesulfonamide
CID 849896
N-[3-chloro-4-(1-piperidinyl)phenyl]methanesulfonamide
CID 971464
4-(2-chlorophenyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 849895
1-(3-Chlorophenyl)-4-(methylsulfonyl)piperazine
CID 669038
1-(3-Chlorophenyl)-4-(propylsulfonyl)piperazine
CID 888594
1-(2,6-Dichlorobenzenesulfonyl)-4-phenylpiperazine
CID 1281339
1-(Benzylsulfonyl)-4-(2-chlorophenyl)piperazine
CID 2971275
1-(2-Chloro-4-nitrophenyl)-4-ethylsulfonylpiperazine
CID 4010092
N-(2-((4-(3-chlorophenyl)piperazin-1-yl)sulfonyl)ethyl)propane-1-sulfonamide
CID 18565499
1-(2-Chlorophenyl)-4-(cyclopropylsulfonyl)piperazine
CID 45504946
1-(2-Chlorophenyl)-4-(4-methylsulfonylpiperazin-1-yl)sulfonylpiperazine
CID 72106319
1-(2-chlorophenyl)-4-[(3R)-3-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]sulfonylpiperazine
CID 143593343

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine (CID 113080453) is 1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine?
The InChIKey is HCLRIKVQAIIGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-2-10-20(18,19)17-8-6-16(7-9-17)13-11(14)4-3-5-12(13)15/h3-5H,2,6-10H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine?
1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine has a molecular weight of 337.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 113080453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).