2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide

C11H9F7N2O3S — CID 4079273

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)8(21)20-5-6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23)
InChIKeyVABWMMCIAMBZFP-UHFFFAOYSA-N
MW382.26 g/mol
LogP1.78
Rot. Bonds5

About 2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide (PubChem CID 4079273) has the molecular formula C11H9F7N2O3S and a molecular weight of 382.26 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide
PubChem CID4079273
Molecular FormulaC11H9F7N2O3S
Molecular Weight382.26 g/mol
Exact Mass382.02
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)8(21)20-5-6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23)
InChIKeyVABWMMCIAMBZFP-UHFFFAOYSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide (CID 4079273) is 2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide is NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide?
The InChIKey is VABWMMCIAMBZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)8(21)20-5-6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide has a molecular weight of 382.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide is sourced from PubChem (CID 4079273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).