2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

C14H11F5N2O4S2 — CID 10670278

IUPAC2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H11F5N2O4S2/c15-9-10(16)12(18)14(13(19)11(9)17)27(24,25)21-6-5-7-1-3-8(4-2-7)26(20,22)23/h1-4,21H,5-6H2,(H2,20,22,23)
InChIKeyYDCJJEISAZMIQL-UHFFFAOYSA-N
MW430.38 g/mol
LogP1.55
Rot. Bonds6

About 2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (PubChem CID 10670278) has the molecular formula C14H11F5N2O4S2 and a molecular weight of 430.38 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
PubChem CID10670278
Molecular FormulaC14H11F5N2O4S2
Molecular Weight430.38 g/mol
Exact Mass430.01
IUPAC Name2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H11F5N2O4S2/c15-9-10(16)12(18)14(13(19)11(9)17)27(24,25)21-6-5-7-1-3-8(4-2-7)26(20,22)23/h1-4,21H,5-6H2,(H2,20,22,23)
InChIKeyYDCJJEISAZMIQL-UHFFFAOYSA-N
XLogP1.55
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 51.55
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'}

Analyze 2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide 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 2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (CID 10670278) is 2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The InChIKey is YDCJJEISAZMIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N2O4S2/c15-9-10(16)12(18)14(13(19)11(9)17)27(24,25)21-6-5-7-1-3-8(4-2-7)26(20,22)23/h1-4,21H,5-6H2,(H2,20,22,23).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
2,3,4,5,6-pentafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide has a molecular weight of 430.38 g/mol, XLogP of 1.55, 6 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-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 10670278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).