azanium 2,3,4,5,6-pentafluorobenzenesulfonate

C6H4F5NO3S — CID 139512990

IUPACazanium 2,3,4,5,6-pentafluorobenzenesulfonate
SMILESO=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.[NH4+]
InChIInChI=1S/C6HF5O3S.H3N/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h(H,12,13,14);1H3
InChIKeyOZQXZBRUWLKDNM-UHFFFAOYSA-N
MW265.16 g/mol
LogP1.66
Rot. Bonds1

About azanium 2,3,4,5,6-pentafluorobenzenesulfonate

azanium 2,3,4,5,6-pentafluorobenzenesulfonate (PubChem CID 139512990) has the molecular formula C6H4F5NO3S and a molecular weight of 265.16 g/mol. Its IUPAC name is azanium 2,3,4,5,6-pentafluorobenzenesulfonate.

Molecular Properties

Compound Nameazanium 2,3,4,5,6-pentafluorobenzenesulfonate
PubChem CID139512990
Molecular FormulaC6H4F5NO3S
Molecular Weight265.16 g/mol
Exact Mass264.98
IUPAC Nameazanium 2,3,4,5,6-pentafluorobenzenesulfonate
SMILESO=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.[NH4+]
InChIInChI=1S/C6HF5O3S.H3N/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h(H,12,13,14);1H3
InChIKeyOZQXZBRUWLKDNM-UHFFFAOYSA-N
XLogP1.66
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate)
CID 140537152
iodophosphanium;2,3,4,5,6-pentafluorobenzenesulfonate
CID 157371741
sodium 2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonate
CID 177244379
potassium 2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzenesulfonate
CID 101363595
2,3,4,5,6-pentafluorobenzenesulfonate;tripentylsulfanium
CID 161350352
bis(4-chlorophenyl)iodanium;2,3,4,5,6-pentafluorobenzenesulfonate
CID 22389958
sodium 4-acetyloxy-2,3,5,6-tetrafluorobenzenesulfonate
CID 89287891
2,3,4,5,6-pentafluorobenzenesulfonate;triheptylsulfanium
CID 157372474
potassium 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzenesulfonate
CID 141230624
bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate
CID 23133190
2,3,4,5,6-pentafluorobenzenesulfonyl fluoride
CID 11807055
disodium;4-azido-2,3,5,6-tetrafluorobenzenesulfonate;4-azido-2,3,5,6-tetrafluorobenzoate
CID 159603376

Frequently Asked Questions

What is the IUPAC name of azanium 2,3,4,5,6-pentafluorobenzenesulfonate?
The IUPAC name of azanium 2,3,4,5,6-pentafluorobenzenesulfonate (CID 139512990) is azanium 2,3,4,5,6-pentafluorobenzenesulfonate.
What is the SMILES notation for azanium 2,3,4,5,6-pentafluorobenzenesulfonate?
The canonical SMILES for azanium 2,3,4,5,6-pentafluorobenzenesulfonate is O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.[NH4+].
What is the InChIKey of azanium 2,3,4,5,6-pentafluorobenzenesulfonate?
The InChIKey is OZQXZBRUWLKDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5O3S.H3N/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h(H,12,13,14);1H3.
What are the key properties of azanium 2,3,4,5,6-pentafluorobenzenesulfonate?
azanium 2,3,4,5,6-pentafluorobenzenesulfonate has a molecular weight of 265.16 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2,3,4,5,6-pentafluorobenzenesulfonate is sourced from PubChem (CID 139512990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).