5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid

C12H11FN2O5S — CID 103298739

IUPAC5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNS(=O)(=O)c2ncccc2F)cc1C(=O)O
InChIInChI=1S/C12H11FN2O5S/c1-7-9(12(16)17)5-8(20-7)6-15-21(18,19)11-10(13)3-2-4-14-11/h2-5,15H,6H2,1H3,(H,16,17)
InChIKeyWFOLLSZOBRHIHO-UHFFFAOYSA-N
MW314.29 g/mol
LogP1.30
Rot. Bonds5

About 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 103298739) has the molecular formula C12H11FN2O5S and a molecular weight of 314.29 g/mol. Its IUPAC name is 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID103298739
Molecular FormulaC12H11FN2O5S
Molecular Weight314.29 g/mol
Exact Mass314.04
IUPAC Name5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNS(=O)(=O)c2ncccc2F)cc1C(=O)O
InChIInChI=1S/C12H11FN2O5S/c1-7-9(12(16)17)5-8(20-7)6-15-21(18,19)11-10(13)3-2-4-14-11/h2-5,15H,6H2,1H3,(H,16,17)
InChIKeyWFOLLSZOBRHIHO-UHFFFAOYSA-N
XLogP1.30
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 103298739) is 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNS(=O)(=O)c2ncccc2F)cc1C(=O)O.
What is the InChIKey of 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is WFOLLSZOBRHIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O5S/c1-7-9(12(16)17)5-8(20-7)6-15-21(18,19)11-10(13)3-2-4-14-11/h2-5,15H,6H2,1H3,(H,16,17).
What are the key properties of 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 314.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 103298739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).