4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine

C15H17FN4O2S — CID 71795082

IUPAC4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine
SMILESCc1cncnc1N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H17FN4O2S/c1-12-10-17-11-18-15(12)19-6-8-20(9-7-19)23(21,22)14-5-3-2-4-13(14)16/h2-5,10-11H,6-9H2,1H3
InChIKeyCWLRKAQDAIGPHV-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.44
Rot. Bonds3

About 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine

4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine (PubChem CID 71795082) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine
PubChem CID71795082
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine
SMILESCc1cncnc1N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H17FN4O2S/c1-12-10-17-11-18-15(12)19-6-8-20(9-7-19)23(21,22)14-5-3-2-4-13(14)16/h2-5,10-11H,6-9H2,1H3
InChIKeyCWLRKAQDAIGPHV-UHFFFAOYSA-N
XLogP1.44
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine?
The IUPAC name of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine (CID 71795082) is 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine is Cc1cncnc1N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine?
The InChIKey is CWLRKAQDAIGPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-12-10-17-11-18-15(12)19-6-8-20(9-7-19)23(21,22)14-5-3-2-4-13(14)16/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine?
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine has a molecular weight of 336.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 71795082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).