1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine

C13H18F2N2O2S — CID 113079918

IUPAC1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-2-9-20(18,19)17-7-5-16(6-8-17)13-4-3-11(14)10-12(13)15/h3-4,10H,2,5-9H2,1H3
InChIKeyWDMQSSWEGMBRLW-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.83
Rot. Bonds4

About 1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine

1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine (PubChem CID 113079918) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine
PubChem CID113079918
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-2-9-20(18,19)17-7-5-16(6-8-17)13-4-3-11(14)10-12(13)15/h3-4,10H,2,5-9H2,1H3
InChIKeyWDMQSSWEGMBRLW-UHFFFAOYSA-N
XLogP1.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-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

1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine
CID 113076966
2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide
CID 87699523
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
CID 770688
1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine
CID 3816055
4-(4-propylsulfonylpiperazin-1-yl)phenol
CID 2422978
1-(2,4-difluorophenyl)-4-hexylpiperazine
CID 59254947
1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113079942
1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3807892
1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113079952
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine (CID 113079918) is 1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine?
The InChIKey is WDMQSSWEGMBRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-2-9-20(18,19)17-7-5-16(6-8-17)13-4-3-11(14)10-12(13)15/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine?
1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine has a molecular weight of 304.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 113079918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).