2,4,5-trifluorobenzenesulfonamide

C6H4F3NO2S — CID 2776974

IUPAC2,4,5-trifluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C6H4F3NO2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyDJZNADBWJLAUPG-UHFFFAOYSA-N
MW211.16 g/mol
LogP0.75
Rot. Bonds1

About 2,4,5-trifluorobenzenesulfonamide

2,4,5-trifluorobenzenesulfonamide (PubChem CID 2776974) has the molecular formula C6H4F3NO2S and a molecular weight of 211.16 g/mol. Its IUPAC name is 2,4,5-trifluorobenzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trifluorobenzenesulfonamide
PubChem CID2776974
Molecular FormulaC6H4F3NO2S
Molecular Weight211.16 g/mol
Exact Mass210.99
IUPAC Name2,4,5-trifluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C6H4F3NO2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyDJZNADBWJLAUPG-UHFFFAOYSA-N
XLogP0.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4,5-trifluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluorobenzenesulfonamide?
The IUPAC name of 2,4,5-trifluorobenzenesulfonamide (CID 2776974) is 2,4,5-trifluorobenzenesulfonamide.
What is the SMILES notation for 2,4,5-trifluorobenzenesulfonamide?
The canonical SMILES for 2,4,5-trifluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluorobenzenesulfonamide?
The InChIKey is DJZNADBWJLAUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,(H2,10,11,12).
What are the key properties of 2,4,5-trifluorobenzenesulfonamide?
2,4,5-trifluorobenzenesulfonamide has a molecular weight of 211.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluorobenzenesulfonamide is sourced from PubChem (CID 2776974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).