2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid

C11H15FN2O4S — CID 103298831

IUPAC2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNS(=O)(=O)c1ncccc1F)C(=O)O
InChIInChI=1S/C11H15FN2O4S/c1-7(2)8(11(15)16)6-14-19(17,18)10-9(12)4-3-5-13-10/h3-5,7-8,14H,6H2,1-2H3,(H,15,16)
InChIKeyROPYUDXINYUENT-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.86
Rot. Bonds6

About 2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid

2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid (PubChem CID 103298831) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid
PubChem CID103298831
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNS(=O)(=O)c1ncccc1F)C(=O)O
InChIInChI=1S/C11H15FN2O4S/c1-7(2)8(11(15)16)6-14-19(17,18)10-9(12)4-3-5-13-10/h3-5,7-8,14H,6H2,1-2H3,(H,15,16)
InChIKeyROPYUDXINYUENT-UHFFFAOYSA-N
XLogP0.86
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
CID 103300164
4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006728
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428
N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide
CID 107158974
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 103298907
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 114167235
2-[[(3-fluorophenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65221060
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308397
ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
CID 103299284

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid (CID 103298831) is 2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid is CC(C)C(CNS(=O)(=O)c1ncccc1F)C(=O)O.
What is the InChIKey of 2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid?
The InChIKey is ROPYUDXINYUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-7(2)8(11(15)16)6-14-19(17,18)10-9(12)4-3-5-13-10/h3-5,7-8,14H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid?
2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 103298831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).