2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine

C16H19FN4O2S — CID 111578359

IUPAC2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CCS(=O)(=O)c1ccccc1F)NCCc1ccccn1
InChIInChI=1S/C16H19FN4O2S/c17-14-6-1-2-7-15(14)24(22,23)12-11-21-16(18)20-10-8-13-5-3-4-9-19-13/h1-7,9H,8,10-12H2,(H3,18,20,21)
InChIKeyVSFRJOUZOWXEMP-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.14
Rot. Bonds7

About 2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111578359) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111578359
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CCS(=O)(=O)c1ccccc1F)NCCc1ccccn1
InChIInChI=1S/C16H19FN4O2S/c17-14-6-1-2-7-15(14)24(22,23)12-11-21-16(18)20-10-8-13-5-3-4-9-19-13/h1-7,9H,8,10-12H2,(H3,18,20,21)
InChIKeyVSFRJOUZOWXEMP-UHFFFAOYSA-N
XLogP1.14
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(benzylsulfamoyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111062408
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111095362
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
1-[2-(2-fluorophenyl)sulfonylethyl]-2-octylguanidine;hydroiodide
CID 111813043
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111043857
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111066396
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111578359) is 2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine is N/C(=N\CCS(=O)(=O)c1ccccc1F)NCCc1ccccn1.
What is the InChIKey of 2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is VSFRJOUZOWXEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c17-14-6-1-2-7-15(14)24(22,23)12-11-21-16(18)20-10-8-13-5-3-4-9-19-13/h1-7,9H,8,10-12H2,(H3,18,20,21).
What are the key properties of 2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 350.42 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)sulfonylethyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111578359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).