1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

C14H17FN4O2S — CID 2812668

IUPAC1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C14H17FN4O2S/c1-17-10-14(16-11-17)22(20,21)19-8-6-18(7-9-19)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9H2,1H3
InChIKeyGFLQLNNHUKZLSP-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.07
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (PubChem CID 2812668) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
PubChem CID2812668
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC Name1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C14H17FN4O2S/c1-17-10-14(16-11-17)22(20,21)19-8-6-18(7-9-19)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9H2,1H3
InChIKeyGFLQLNNHUKZLSP-UHFFFAOYSA-N
XLogP1.07
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (CID 2812668) is 1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is Cn1cnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The InChIKey is GFLQLNNHUKZLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-17-10-14(16-11-17)22(20,21)19-8-6-18(7-9-19)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine has a molecular weight of 324.38 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 2812668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).