2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide

C12H9F9N2O3S — CID 4089036

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H9F9N2O3S/c13-9(14,10(15,16)11(17,18)12(19,20)21)8(24)23-5-6-1-3-7(4-2-6)27(22,25)26/h1-4H,5H2,(H,23,24)(H2,22,25,26)
InChIKeyGAVHLPDPYHDYNF-UHFFFAOYSA-N
MW432.26 g/mol
LogP2.42
Rot. Bonds6

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide (PubChem CID 4089036) has the molecular formula C12H9F9N2O3S and a molecular weight of 432.26 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide
PubChem CID4089036
Molecular FormulaC12H9F9N2O3S
Molecular Weight432.26 g/mol
Exact Mass432.02
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H9F9N2O3S/c13-9(14,10(15,16)11(17,18)12(19,20)21)8(24)23-5-6-1-3-7(4-2-6)27(22,25)26/h1-4H,5H2,(H,23,24)(H2,22,25,26)
InChIKeyGAVHLPDPYHDYNF-UHFFFAOYSA-N
XLogP2.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide 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 2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide (CID 4089036) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide is NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The InChIKey is GAVHLPDPYHDYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F9N2O3S/c13-9(14,10(15,16)11(17,18)12(19,20)21)8(24)23-5-6-1-3-7(4-2-6)27(22,25)26/h1-4H,5H2,(H,23,24)(H2,22,25,26).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide has a molecular weight of 432.26 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide is sourced from PubChem (CID 4089036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).