2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine

C7H4F5N3O2S — CID 5074355

IUPAC2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H4F5N3O2S/c8-1-2(9)4(11)6(5(12)3(1)10)18(16,17)15-7(13)14/h(H4,13,14,15)
InChIKeyFPWLIBVPLOBIHY-UHFFFAOYSA-N
MW289.19 g/mol
LogP0.34
Rot. Bonds2

About 2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine

2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine (PubChem CID 5074355) has the molecular formula C7H4F5N3O2S and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine
PubChem CID5074355
Molecular FormulaC7H4F5N3O2S
Molecular Weight289.19 g/mol
Exact Mass288.99
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H4F5N3O2S/c8-1-2(9)4(11)6(5(12)3(1)10)18(16,17)15-7(13)14/h(H4,13,14,15)
InChIKeyFPWLIBVPLOBIHY-UHFFFAOYSA-N
XLogP0.34
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine (CID 5074355) is 2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine is NC(N)=NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine?
The InChIKey is FPWLIBVPLOBIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5N3O2S/c8-1-2(9)4(11)6(5(12)3(1)10)18(16,17)15-7(13)14/h(H4,13,14,15).
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine?
2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine has a molecular weight of 289.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)sulfonylguanidine is sourced from PubChem (CID 5074355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).