5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide

C9H10F3NO4S — CID 113328173

IUPAC5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)NCCCC(F)(F)F)o1
InChIInChI=1S/C9H10F3NO4S/c10-9(11,12)4-1-5-13-18(15,16)8-3-2-7(6-14)17-8/h2-3,6,13H,1,4-5H2
InChIKeyLHARNADBHUSQEF-UHFFFAOYSA-N
MW285.24 g/mol
LogP1.71
Rot. Bonds6

About 5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide

5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide (PubChem CID 113328173) has the molecular formula C9H10F3NO4S and a molecular weight of 285.24 g/mol. Its IUPAC name is 5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide
PubChem CID113328173
Molecular FormulaC9H10F3NO4S
Molecular Weight285.24 g/mol
Exact Mass285.03
IUPAC Name5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)NCCCC(F)(F)F)o1
InChIInChI=1S/C9H10F3NO4S/c10-9(11,12)4-1-5-13-18(15,16)8-3-2-7(6-14)17-8/h2-3,6,13H,1,4-5H2
InChIKeyLHARNADBHUSQEF-UHFFFAOYSA-N
XLogP1.71
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.71
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-(4,4,4-trifluorobutyl)furan-2-sulfonamide?
The IUPAC name of 5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide (CID 113328173) is 5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide.
What is the SMILES notation for 5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide?
The canonical SMILES for 5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide is O=Cc1ccc(S(=O)(=O)NCCCC(F)(F)F)o1.
What is the InChIKey of 5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide?
The InChIKey is LHARNADBHUSQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S/c10-9(11,12)4-1-5-13-18(15,16)8-3-2-7(6-14)17-8/h2-3,6,13H,1,4-5H2.
What are the key properties of 5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide?
5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide has a molecular weight of 285.24 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide is sourced from PubChem (CID 113328173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).