2,3,4,5,6-pentafluorobenzenesulfonamide

C6H2F5NO2S — CID 2063927

IUPAC2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5NO2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H2,12,13,14)
InChIKeyZWVYQZBCSXCUOO-UHFFFAOYSA-N
MW247.14 g/mol
LogP1.03
Rot. Bonds1

About 2,3,4,5,6-pentafluorobenzenesulfonamide

2,3,4,5,6-pentafluorobenzenesulfonamide (PubChem CID 2063927) has the molecular formula C6H2F5NO2S and a molecular weight of 247.14 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluorobenzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluorobenzenesulfonamide
PubChem CID2063927
Molecular FormulaC6H2F5NO2S
Molecular Weight247.14 g/mol
Exact Mass246.97
IUPAC Name2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5NO2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H2,12,13,14)
InChIKeyZWVYQZBCSXCUOO-UHFFFAOYSA-N
XLogP1.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 51.03
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluorobenzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluorobenzenesulfonamide (CID 2063927) is 2,3,4,5,6-pentafluorobenzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluorobenzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluorobenzenesulfonamide is NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluorobenzenesulfonamide?
The InChIKey is ZWVYQZBCSXCUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5NO2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H2,12,13,14).
What are the key properties of 2,3,4,5,6-pentafluorobenzenesulfonamide?
2,3,4,5,6-pentafluorobenzenesulfonamide has a molecular weight of 247.14 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluorobenzenesulfonamide is sourced from PubChem (CID 2063927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).