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

C12H17FN2O4S — CID 103298907

IUPAC3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H17FN2O4S/c1-12(2,3)9(7-10(16)17)15-20(18,19)11-8(13)5-4-6-14-11/h4-6,9,15H,7H2,1-3H3,(H,16,17)
InChIKeyYQFDGLMJVYHELL-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.39
Rot. Bonds5

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

3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid (PubChem CID 103298907) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid
PubChem CID103298907
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H17FN2O4S/c1-12(2,3)9(7-10(16)17)15-20(18,19)11-8(13)5-4-6-14-11/h4-6,9,15H,7H2,1-3H3,(H,16,17)
InChIKeyYQFDGLMJVYHELL-UHFFFAOYSA-N
XLogP1.39
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
CID 103298911
2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 103298831
3-fluoro-N-(4-hydroxybutan-2-yl)pyridine-2-sulfonamide
CID 103300372
N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308397
(3R)-3-[(2-chloro-5-fluorophenyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 166259120
2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
CID 103298878
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 114167235
3-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)pyridine-2-sulfonamide
CID 106184850
N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide
CID 103300448
N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308364
4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006728

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid?
The IUPAC name of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid (CID 103298907) is 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid is CC(C)(C)C(CC(=O)O)NS(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid?
The InChIKey is YQFDGLMJVYHELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-12(2,3)9(7-10(16)17)15-20(18,19)11-8(13)5-4-6-14-11/h4-6,9,15H,7H2,1-3H3,(H,16,17).
What are the key properties of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid?
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid has a molecular weight of 304.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 103298907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).