2,4,6-trifluorobenzenesulfonohydrazide

C6H5F3N2O2S — CID 60971581

IUPAC2,4,6-trifluorobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C6H5F3N2O2S/c7-3-1-4(8)6(5(9)2-3)14(12,13)11-10/h1-2,11H,10H2
InChIKeyFEBKBVYAWUVSCL-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.26
Rot. Bonds2

About 2,4,6-trifluorobenzenesulfonohydrazide

2,4,6-trifluorobenzenesulfonohydrazide (PubChem CID 60971581) has the molecular formula C6H5F3N2O2S and a molecular weight of 226.18 g/mol. Its IUPAC name is 2,4,6-trifluorobenzenesulfonohydrazide.

Molecular Properties

Compound Name2,4,6-trifluorobenzenesulfonohydrazide
PubChem CID60971581
Molecular FormulaC6H5F3N2O2S
Molecular Weight226.18 g/mol
Exact Mass226.00
IUPAC Name2,4,6-trifluorobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C6H5F3N2O2S/c7-3-1-4(8)6(5(9)2-3)14(12,13)11-10/h1-2,11H,10H2
InChIKeyFEBKBVYAWUVSCL-UHFFFAOYSA-N
XLogP0.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluorobenzenesulfonohydrazide?
The IUPAC name of 2,4,6-trifluorobenzenesulfonohydrazide (CID 60971581) is 2,4,6-trifluorobenzenesulfonohydrazide.
What is the SMILES notation for 2,4,6-trifluorobenzenesulfonohydrazide?
The canonical SMILES for 2,4,6-trifluorobenzenesulfonohydrazide is NNS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluorobenzenesulfonohydrazide?
The InChIKey is FEBKBVYAWUVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2S/c7-3-1-4(8)6(5(9)2-3)14(12,13)11-10/h1-2,11H,10H2.
What are the key properties of 2,4,6-trifluorobenzenesulfonohydrazide?
2,4,6-trifluorobenzenesulfonohydrazide has a molecular weight of 226.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluorobenzenesulfonohydrazide is sourced from PubChem (CID 60971581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).