3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide

C11H9F3N2O3S — CID 118138040

IUPAC3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncccc1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C11H9F3N2O3S/c12-11(13,14)9-4-3-8(19-9)6-7-2-1-5-16-10(7)20(15,17)18/h1-5H,6H2,(H2,15,17,18)
InChIKeyIMMLHFLAXNVWNZ-UHFFFAOYSA-N
MW306.26 g/mol
LogP1.93
Rot. Bonds3

About 3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide

3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide (PubChem CID 118138040) has the molecular formula C11H9F3N2O3S and a molecular weight of 306.26 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide
PubChem CID118138040
Molecular FormulaC11H9F3N2O3S
Molecular Weight306.26 g/mol
Exact Mass306.03
IUPAC Name3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncccc1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C11H9F3N2O3S/c12-11(13,14)9-4-3-8(19-9)6-7-2-1-5-16-10(7)20(15,17)18/h1-5H,6H2,(H2,15,17,18)
InChIKeyIMMLHFLAXNVWNZ-UHFFFAOYSA-N
XLogP1.93
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide (CID 118138040) is 3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide is NS(=O)(=O)c1ncccc1Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of 3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide?
The InChIKey is IMMLHFLAXNVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S/c12-11(13,14)9-4-3-8(19-9)6-7-2-1-5-16-10(7)20(15,17)18/h1-5H,6H2,(H2,15,17,18).
What are the key properties of 3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide?
3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide has a molecular weight of 306.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 118138040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).