1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine

C18H19FN4O2S2 — CID 20947485

IUPAC1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)s2)n[nH]1
InChIInChI=1S/C18H19FN4O2S2/c1-13-12-15(21-20-13)17-6-7-18(26-17)27(24,25)23-10-8-22(9-11-23)16-5-3-2-4-14(16)19/h2-7,12H,8-11H2,1H3,(H,20,21)
InChIKeyMKPDOCPDOGNVCZ-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.10
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine

1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine (PubChem CID 20947485) has the molecular formula C18H19FN4O2S2 and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
PubChem CID20947485
Molecular FormulaC18H19FN4O2S2
Molecular Weight406.51 g/mol
Exact Mass406.09
IUPAC Name1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)s2)n[nH]1
InChIInChI=1S/C18H19FN4O2S2/c1-13-12-15(21-20-13)17-6-7-18(26-17)27(24,25)23-10-8-22(9-11-23)16-5-3-2-4-14(16)19/h2-7,12H,8-11H2,1H3,(H,20,21)
InChIKeyMKPDOCPDOGNVCZ-UHFFFAOYSA-N
XLogP3.10
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine (CID 20947485) is 1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine is Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)s2)n[nH]1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
The InChIKey is MKPDOCPDOGNVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S2/c1-13-12-15(21-20-13)17-6-7-18(26-17)27(24,25)23-10-8-22(9-11-23)16-5-3-2-4-14(16)19/h2-7,12H,8-11H2,1H3,(H,20,21).
What are the key properties of 1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine has a molecular weight of 406.51 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine is sourced from PubChem (CID 20947485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).