1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine

C15H19FN4O2S — CID 6465735

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H19FN4O2S/c1-12-15(11-18(2)17-12)23(21,22)20-9-7-19(8-10-20)14-6-4-3-5-13(14)16/h3-6,11H,7-10H2,1-2H3
InChIKeyFFYJQJBSWCZUIU-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.38
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine (PubChem CID 6465735) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine
PubChem CID6465735
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H19FN4O2S/c1-12-15(11-18(2)17-12)23(21,22)20-9-7-19(8-10-20)14-6-4-3-5-13(14)16/h3-6,11H,7-10H2,1-2H3
InChIKeyFFYJQJBSWCZUIU-UHFFFAOYSA-N
XLogP1.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine (CID 6465735) is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine is Cc1nn(C)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The InChIKey is FFYJQJBSWCZUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-12-15(11-18(2)17-12)23(21,22)20-9-7-19(8-10-20)14-6-4-3-5-13(14)16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine has a molecular weight of 338.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 6465735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).