5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde

C11H8FNO4S — CID 135061276

IUPAC5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(C(F)S(=O)(=O)c2ccccn2)o1
InChIInChI=1S/C11H8FNO4S/c12-11(9-5-4-8(7-14)17-9)18(15,16)10-3-1-2-6-13-10/h1-7,11H
InChIKeyKAGKITPCGRZGAC-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.93
Rot. Bonds4

About 5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde

5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde (PubChem CID 135061276) has the molecular formula C11H8FNO4S and a molecular weight of 269.25 g/mol. Its IUPAC name is 5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde
PubChem CID135061276
Molecular FormulaC11H8FNO4S
Molecular Weight269.25 g/mol
Exact Mass269.02
IUPAC Name5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(C(F)S(=O)(=O)c2ccccn2)o1
InChIInChI=1S/C11H8FNO4S/c12-11(9-5-4-8(7-14)17-9)18(15,16)10-3-1-2-6-13-10/h1-7,11H
InChIKeyKAGKITPCGRZGAC-UHFFFAOYSA-N
XLogP1.93
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde (CID 135061276) is 5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde is O=Cc1ccc(C(F)S(=O)(=O)c2ccccn2)o1.
What is the InChIKey of 5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde?
The InChIKey is KAGKITPCGRZGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4S/c12-11(9-5-4-8(7-14)17-9)18(15,16)10-3-1-2-6-13-10/h1-7,11H.
What are the key properties of 5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde?
5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde has a molecular weight of 269.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 135061276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).