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

C11H13FN2O5S — CID 103298872

IUPAC5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CNS(=O)(=O)c2ncccc2F)O1
InChIInChI=1S/C11H13FN2O5S/c12-8-2-1-5-13-10(8)20(17,18)14-6-7-3-4-9(19-7)11(15)16/h1-2,5,7,9,14H,3-4,6H2,(H,15,16)
InChIKeyHFUSZOKVKFXBNY-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.13
Rot. Bonds5

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

5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 103298872) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
PubChem CID103298872
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CNS(=O)(=O)c2ncccc2F)O1
InChIInChI=1S/C11H13FN2O5S/c12-8-2-1-5-13-10(8)20(17,18)14-6-7-3-4-9(19-7)11(15)16/h1-2,5,7,9,14H,3-4,6H2,(H,15,16)
InChIKeyHFUSZOKVKFXBNY-UHFFFAOYSA-N
XLogP0.13
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

5-[[(5-Fluoro-3-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid
CID 80011384
5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide
CID 91645930
(2R,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide
CID 99706567
(2R,5S)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide
CID 99706569
(2S,5R)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide
CID 99706571
(2S,5S)-5-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]oxolane-2-carboxamide
CID 99706573
6-[(3-Fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
CID 103298670
4-[(3-Fluoro-2-pyridinyl)sulfonyl]morpholine-2-carboxylic acid
CID 103298764
5-[(3-Fluoro-2-pyridinyl)sulfonylamino]pentanoic acid
CID 103298810
3-[(3-Fluoro-2-pyridinyl)sulfonylamino]-2-hydroxypropanoic acid
CID 103298848
2-[2-[(3-Fluoro-2-pyridinyl)sulfonylamino]ethoxy]acetic acid
CID 103298865
2-[(3-Fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
CID 103298878

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid (CID 103298872) is 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(CNS(=O)(=O)c2ncccc2F)O1.
What is the InChIKey of 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is HFUSZOKVKFXBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c12-8-2-1-5-13-10(8)20(17,18)14-6-7-3-4-9(19-7)11(15)16/h1-2,5,7,9,14H,3-4,6H2,(H,15,16).
What are the key properties of 5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid?
5-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 0.13, 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]oxolane-2-carboxylic acid is sourced from PubChem (CID 103298872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).