2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide

C13H7F5N2O3S — CID 4180608

IUPAC2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H7F5N2O3S/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20-5-1-3-6(4-2-5)24(19,22)23/h1-4H,(H,20,21)(H2,19,22,23)
InChIKeyARIFRHZMMVDEFJ-UHFFFAOYSA-N
MW366.27 g/mol
LogP2.28
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide

2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide (PubChem CID 4180608) has the molecular formula C13H7F5N2O3S and a molecular weight of 366.27 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
PubChem CID4180608
Molecular FormulaC13H7F5N2O3S
Molecular Weight366.27 g/mol
Exact Mass366.01
IUPAC Name2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H7F5N2O3S/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20-5-1-3-6(4-2-5)24(19,22)23/h1-4H,(H,20,21)(H2,19,22,23)
InChIKeyARIFRHZMMVDEFJ-UHFFFAOYSA-N
XLogP2.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide (CID 4180608) is 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is ARIFRHZMMVDEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N2O3S/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20-5-1-3-6(4-2-5)24(19,22)23/h1-4H,(H,20,21)(H2,19,22,23).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide?
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 366.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 4180608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).