1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

C15H19FN4O2S — CID 71783850

IUPAC1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H19FN4O2S/c16-14-4-1-2-5-15(14)23(21,22)20-12-9-18(10-13-20)8-11-19-7-3-6-17-19/h1-7H,8-13H2
InChIKeyKCPILIWZUXHBRW-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.03
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 71783850) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
PubChem CID71783850
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H19FN4O2S/c16-14-4-1-2-5-15(14)23(21,22)20-12-9-18(10-13-20)8-11-19-7-3-6-17-19/h1-7H,8-13H2
InChIKeyKCPILIWZUXHBRW-UHFFFAOYSA-N
XLogP1.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 6465735
1-(1-Ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 6467767
2,5-difluoro-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 17376057
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204121
4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207461
1-(1-Benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
CID 51099645
1-[2-(Benzenesulfonyl)ethyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 53619086
4-((1H-pyrazol-1-yl)methyl)-1-((2,6-difluorophenyl)sulfonyl)piperidine
CID 71781206
1-((3,5-difluorophenyl)sulfonyl)-4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)piperazine
CID 71783877
1-(2-{4-[m-(Trifluoromethyl)phenylsulfonyl]-1,4-diazepan-1-yl}ethyl)pyrazole
CID 71790564

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (CID 71783850) is 1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is O=S(=O)(c1ccccc1F)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is KCPILIWZUXHBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c16-14-4-1-2-5-15(14)23(21,22)20-12-9-18(10-13-20)8-11-19-7-3-6-17-19/h1-7H,8-13H2.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 338.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 71783850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).