[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite

C10H4F5N3OS5 — CID 122483006

IUPAC[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite
SMILESO=C(Nc1c(SF)c(SF)c(SF)c(SF)c1SF)n1cccn1
InChIInChI=1S/C10H4F5N3OS5/c11-20-5-4(17-10(19)18-3-1-2-16-18)6(21-12)8(23-14)9(24-15)7(5)22-13/h1-3H,(H,17,19)
InChIKeyFTCRWEUVXYLXKE-UHFFFAOYSA-N
MW437.49 g/mol
LogP6.85
Rot. Bonds6

About [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite

[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite (PubChem CID 122483006) has the molecular formula C10H4F5N3OS5 and a molecular weight of 437.49 g/mol. Its IUPAC name is [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite.

Molecular Properties

Compound Name[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite
PubChem CID122483006
Molecular FormulaC10H4F5N3OS5
Molecular Weight437.49 g/mol
Exact Mass436.89
IUPAC Name[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite
SMILESO=C(Nc1c(SF)c(SF)c(SF)c(SF)c1SF)n1cccn1
InChIInChI=1S/C10H4F5N3OS5/c11-20-5-4(17-10(19)18-3-1-2-16-18)6(21-12)8(23-14)9(24-15)7(5)22-13/h1-3H,(H,17,19)
InChIKeyFTCRWEUVXYLXKE-UHFFFAOYSA-N
XLogP6.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.49
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]pyrazole-1-carboxamide
CID 122483008
[2,3,4,5-Tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite
CID 122483078
N-(4-sulfanylphenyl)pyrazole-1-carboxamide
CID 129252378

Frequently Asked Questions

What is the IUPAC name of [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite?
The IUPAC name of [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite (CID 122483006) is [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite.
What is the SMILES notation for [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite?
The canonical SMILES for [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite is O=C(Nc1c(SF)c(SF)c(SF)c(SF)c1SF)n1cccn1.
What is the InChIKey of [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite?
The InChIKey is FTCRWEUVXYLXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F5N3OS5/c11-20-5-4(17-10(19)18-3-1-2-16-18)6(21-12)8(23-14)9(24-15)7(5)22-13/h1-3H,(H,17,19).
What are the key properties of [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite?
[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite has a molecular weight of 437.49 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrazole-1-carbonylamino)phenyl] thiohypofluorite is sourced from PubChem (CID 122483006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).