5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide

C10H12F3NO4S — CID 113328174

IUPAC5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)NCCCCC(F)(F)F)o1
InChIInChI=1S/C10H12F3NO4S/c11-10(12,13)5-1-2-6-14-19(16,17)9-4-3-8(7-15)18-9/h3-4,7,14H,1-2,5-6H2
InChIKeyAOUNKQBUNNZALB-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.10
Rot. Bonds7

About 5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide

5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide (PubChem CID 113328174) has the molecular formula C10H12F3NO4S and a molecular weight of 299.27 g/mol. Its IUPAC name is 5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide
PubChem CID113328174
Molecular FormulaC10H12F3NO4S
Molecular Weight299.27 g/mol
Exact Mass299.04
IUPAC Name5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)NCCCCC(F)(F)F)o1
InChIInChI=1S/C10H12F3NO4S/c11-10(12,13)5-1-2-6-14-19(16,17)9-4-3-8(7-15)18-9/h3-4,7,14H,1-2,5-6H2
InChIKeyAOUNKQBUNNZALB-UHFFFAOYSA-N
XLogP2.10
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide?
The IUPAC name of 5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide (CID 113328174) is 5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide.
What is the SMILES notation for 5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide?
The canonical SMILES for 5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide is O=Cc1ccc(S(=O)(=O)NCCCCC(F)(F)F)o1.
What is the InChIKey of 5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide?
The InChIKey is AOUNKQBUNNZALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S/c11-10(12,13)5-1-2-6-14-19(16,17)9-4-3-8(7-15)18-9/h3-4,7,14H,1-2,5-6H2.
What are the key properties of 5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide?
5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide has a molecular weight of 299.27 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide is sourced from PubChem (CID 113328174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).