5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid

C11H15FN2O4S — CID 103298911

IUPAC5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H15FN2O4S/c1-8(4-2-6-10(15)16)14-19(17,18)11-9(12)5-3-7-13-11/h3,5,7-8,14H,2,4,6H2,1H3,(H,15,16)
InChIKeyGAHYHNYIOCRKHU-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.14
Rot. Bonds7

About 5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid

5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid (PubChem CID 103298911) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
PubChem CID103298911
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H15FN2O4S/c1-8(4-2-6-10(15)16)14-19(17,18)11-9(12)5-3-7-13-11/h3,5,7-8,14H,2,4,6H2,1H3,(H,15,16)
InChIKeyGAHYHNYIOCRKHU-UHFFFAOYSA-N
XLogP1.14
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-Fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide
CID 151640390
1-Pyridin-2-ylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 170359521
(3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 176259823
(3R,4S)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 176259852
methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate
CID 15431612
N-(pyridyl-3-sulfonyl)-l-threonine
CID 129856772
methyl (2S)-2-(pyridin-2-ylsulfonylamino)butanoate
CID 176425717
5-Amino-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-5-oxopentanoic acid
CID 61783213
7-[(5-Fluoro-3-pyridinyl)sulfonylamino]heptanoic acid
CID 61783561
(2S)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoic acid
CID 61783563
(2S,3S)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylpentanoic acid
CID 61783564
(2S)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 61783741

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid?
The IUPAC name of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid (CID 103298911) is 5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid is CC(CCCC(=O)O)NS(=O)(=O)c1ncccc1F.
What is the InChIKey of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid?
The InChIKey is GAHYHNYIOCRKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-8(4-2-6-10(15)16)14-19(17,18)11-9(12)5-3-7-13-11/h3,5,7-8,14H,2,4,6H2,1H3,(H,15,16).
What are the key properties of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid?
5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 103298911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).