2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine

C14H14F2N4O2S — CID 17375853

IUPAC2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H14F2N4O2S/c15-11-2-3-12(16)13(10-11)23(21,22)20-8-6-19(7-9-20)14-17-4-1-5-18-14/h1-5,10H,6-9H2
InChIKeyMQUCYGVKCKRJMU-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.27
Rot. Bonds3

About 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine

2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 17375853) has the molecular formula C14H14F2N4O2S and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID17375853
Molecular FormulaC14H14F2N4O2S
Molecular Weight340.35 g/mol
Exact Mass340.08
IUPAC Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H14F2N4O2S/c15-11-2-3-12(16)13(10-11)23(21,22)20-8-6-19(7-9-20)14-17-4-1-5-18-14/h1-5,10H,6-9H2
InChIKeyMQUCYGVKCKRJMU-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-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 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 17375853) is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine is O=S(=O)(c1cc(F)ccc1F)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is MQUCYGVKCKRJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2S/c15-11-2-3-12(16)13(10-11)23(21,22)20-8-6-19(7-9-20)14-17-4-1-5-18-14/h1-5,10H,6-9H2.
What are the key properties of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine?
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 340.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 17375853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).