5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide

C10H11NO4S — CID 106233006

IUPAC5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1ccc(C=O)o1
InChIInChI=1S/C10H11NO4S/c1-3-8(4-2)11-16(13,14)10-6-5-9(7-12)15-10/h1,5-8,11H,4H2,2H3
InChIKeyCXQICWAFBQBSFV-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.78
Rot. Bonds5

About 5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide

5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide (PubChem CID 106233006) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide
PubChem CID106233006
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1ccc(C=O)o1
InChIInChI=1S/C10H11NO4S/c1-3-8(4-2)11-16(13,14)10-6-5-9(7-12)15-10/h1,5-8,11H,4H2,2H3
InChIKeyCXQICWAFBQBSFV-UHFFFAOYSA-N
XLogP0.78
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide?
The IUPAC name of 5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide (CID 106233006) is 5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide.
What is the SMILES notation for 5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide?
The canonical SMILES for 5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide is C#CC(CC)NS(=O)(=O)c1ccc(C=O)o1.
What is the InChIKey of 5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide?
The InChIKey is CXQICWAFBQBSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-3-8(4-2)11-16(13,14)10-6-5-9(7-12)15-10/h1,5-8,11H,4H2,2H3.
What are the key properties of 5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide?
5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide has a molecular weight of 241.27 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide is sourced from PubChem (CID 106233006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).