2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide

C6H3F5N2O4S2 — CID 10358994

IUPAC2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide
SMILESNS(=O)(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H3F5N2O4S2/c7-1-2(8)4(10)6(5(11)3(1)9)18(14,15)13-19(12,16)17/h13H,(H2,12,16,17)
InChIKeyWZCAMZHHVVWHBK-UHFFFAOYSA-N
MW326.22 g/mol
LogP-0.14
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide

2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide (PubChem CID 10358994) has the molecular formula C6H3F5N2O4S2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide
PubChem CID10358994
Molecular FormulaC6H3F5N2O4S2
Molecular Weight326.22 g/mol
Exact Mass325.95
IUPAC Name2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide
SMILESNS(=O)(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H3F5N2O4S2/c7-1-2(8)4(10)6(5(11)3(1)9)18(14,15)13-19(12,16)17/h13H,(H2,12,16,17)
InChIKeyWZCAMZHHVVWHBK-UHFFFAOYSA-N
XLogP-0.14
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-pentafluoro-N-sulfamoylbenzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide (CID 10358994) is 2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide is NS(=O)(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide?
The InChIKey is WZCAMZHHVVWHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5N2O4S2/c7-1-2(8)4(10)6(5(11)3(1)9)18(14,15)13-19(12,16)17/h13H,(H2,12,16,17).
What are the key properties of 2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide?
2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide has a molecular weight of 326.22 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-sulfamoylbenzenesulfonamide is sourced from PubChem (CID 10358994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).