4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid

C9H11FN2O5S — CID 114006728

IUPAC4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H11FN2O5S/c10-6-2-1-4-11-8(6)18(16,17)12-5-3-7(13)9(14)15/h1-2,4,7,12-13H,3,5H2,(H,14,15)
InChIKeyAWMPKIMLEKJOIC-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.67
Rot. Bonds6

About 4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid

4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid (PubChem CID 114006728) has the molecular formula C9H11FN2O5S and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
PubChem CID114006728
Molecular FormulaC9H11FN2O5S
Molecular Weight278.26 g/mol
Exact Mass278.04
IUPAC Name4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H11FN2O5S/c10-6-2-1-4-11-8(6)18(16,17)12-5-3-7(13)9(14)15/h1-2,4,7,12-13H,3,5H2,(H,14,15)
InChIKeyAWMPKIMLEKJOIC-UHFFFAOYSA-N
XLogP-0.67
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934121
2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 103298831
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
CID 103300164
3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide
CID 103300513
4-[(3-fluoro-2-pyridinyl)sulfonylamino]butanethioamide
CID 103300665
N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175137
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
CID 103299284
2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
CID 103298878

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid (CID 114006728) is 4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid is O=C(O)C(O)CCNS(=O)(=O)c1ncccc1F.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid?
The InChIKey is AWMPKIMLEKJOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O5S/c10-6-2-1-4-11-8(6)18(16,17)12-5-3-7(13)9(14)15/h1-2,4,7,12-13H,3,5H2,(H,14,15).
What are the key properties of 4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid?
4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid has a molecular weight of 278.26 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 114006728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).