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

C11H15FN2O5S — CID 103298878

IUPAC2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
SMILESCOCCCC(NS(=O)(=O)c1ncccc1F)C(=O)O
InChIInChI=1S/C11H15FN2O5S/c1-19-7-3-5-9(11(15)16)14-20(17,18)10-8(12)4-2-6-13-10/h2,4,6,9,14H,3,5,7H2,1H3,(H,15,16)
InChIKeyRMBJDTFYCVHPNR-UHFFFAOYSA-N
MW306.31 g/mol
LogP0.38
Rot. Bonds8

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

2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid (PubChem CID 103298878) has the molecular formula C11H15FN2O5S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
PubChem CID103298878
Molecular FormulaC11H15FN2O5S
Molecular Weight306.31 g/mol
Exact Mass306.07
IUPAC Name2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
SMILESCOCCCC(NS(=O)(=O)c1ncccc1F)C(=O)O
InChIInChI=1S/C11H15FN2O5S/c1-19-7-3-5-9(11(15)16)14-20(17,18)10-8(12)4-2-6-13-10/h2,4,6,9,14H,3,5,7H2,1H3,(H,15,16)
InChIKeyRMBJDTFYCVHPNR-UHFFFAOYSA-N
XLogP0.38
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
CID 106593407
3-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)pyridine-2-sulfonamide
CID 106184850
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid
CID 81086354
3-fluoro-N-(4-hydroxybutan-2-yl)pyridine-2-sulfonamide
CID 103300372
2-[(3,5-dimethylphenyl)sulfonylamino]-5-methoxypentanoic acid
CID 81086194
4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006728
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 103298907
5-methoxy-2-(2-pyridin-4-ylethylsulfonylamino)pentanoic acid
CID 81086349
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81077958
2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 103298831
3-fluoro-N-octan-2-ylpyridine-2-sulfonamide
CID 103299597
2-(2-carbamoyl-3-fluoroanilino)-5-methoxypentanoic acid
CID 81078963

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid (CID 103298878) is 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid is COCCCC(NS(=O)(=O)c1ncccc1F)C(=O)O.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid?
The InChIKey is RMBJDTFYCVHPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O5S/c1-19-7-3-5-9(11(15)16)14-20(17,18)10-8(12)4-2-6-13-10/h2,4,6,9,14H,3,5,7H2,1H3,(H,15,16).
What are the key properties of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid?
2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid has a molecular weight of 306.31 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid is sourced from PubChem (CID 103298878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).