5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine

C17H20F2N4O2S — CID 15729898

IUPAC5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine
SMILESO=S(=O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H20F2N4O2S/c18-14-2-4-16(5-3-14)26(24,25)11-1-6-22-7-9-23(10-8-22)17-20-12-15(19)13-21-17/h2-5,12-13H,1,6-11H2
InChIKeyMBPXLOONDKVPIQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.74
Rot. Bonds6

About 5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine

5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine (PubChem CID 15729898) has the molecular formula C17H20F2N4O2S and a molecular weight of 382.44 g/mol. Its IUPAC name is 5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine
PubChem CID15729898
Molecular FormulaC17H20F2N4O2S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC Name5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine
SMILESO=S(=O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H20F2N4O2S/c18-14-2-4-16(5-3-14)26(24,25)11-1-6-22-7-9-23(10-8-22)17-20-12-15(19)13-21-17/h2-5,12-13H,1,6-11H2
InChIKeyMBPXLOONDKVPIQ-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine 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 5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine (CID 15729898) is 5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine is O=S(=O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine?
The InChIKey is MBPXLOONDKVPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2S/c18-14-2-4-16(5-3-14)26(24,25)11-1-6-22-7-9-23(10-8-22)17-20-12-15(19)13-21-17/h2-5,12-13H,1,6-11H2.
What are the key properties of 5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine?
5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine has a molecular weight of 382.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[3-(4-fluorophenyl)sulfonylpropyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 15729898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).