1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine

C18H23F2N3O2S — CID 2740788

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine
SMILESCc1ccc(C)n1CCN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H23F2N3O2S/c1-14-3-4-15(2)23(14)12-9-21-7-10-22(11-8-21)26(24,25)18-6-5-16(19)13-17(18)20/h3-6,13H,7-12H2,1-2H3
InChIKeyAIPMYKZIXJGOCN-UHFFFAOYSA-N
MW383.46 g/mol
LogP2.39
Rot. Bonds5

About 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine

1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine (PubChem CID 2740788) has the molecular formula C18H23F2N3O2S and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine
PubChem CID2740788
Molecular FormulaC18H23F2N3O2S
Molecular Weight383.46 g/mol
Exact Mass383.15
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine
SMILESCc1ccc(C)n1CCN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H23F2N3O2S/c1-14-3-4-15(2)23(14)12-9-21-7-10-22(11-8-21)26(24,25)18-6-5-16(19)13-17(18)20/h3-6,13H,7-12H2,1-2H3
InChIKeyAIPMYKZIXJGOCN-UHFFFAOYSA-N
XLogP2.39
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine (CID 2740788) is 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine is Cc1ccc(C)n1CCN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine?
The InChIKey is AIPMYKZIXJGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2S/c1-14-3-4-15(2)23(14)12-9-21-7-10-22(11-8-21)26(24,25)18-6-5-16(19)13-17(18)20/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine?
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine has a molecular weight of 383.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine is sourced from PubChem (CID 2740788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).