4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid

C10H13FN2O4S — CID 103298703

IUPAC4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H13FN2O4S/c1-13(7-3-5-9(14)15)18(16,17)10-8(11)4-2-6-12-10/h2,4,6H,3,5,7H2,1H3,(H,14,15)
InChIKeyDYBXBUOGDPLUBH-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.71
Rot. Bonds6

About 4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid

4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid (PubChem CID 103298703) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid
PubChem CID103298703
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H13FN2O4S/c1-13(7-3-5-9(14)15)18(16,17)10-8(11)4-2-6-12-10/h2,4,6H,3,5,7H2,1H3,(H,14,15)
InChIKeyDYBXBUOGDPLUBH-UHFFFAOYSA-N
XLogP0.71
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate
CID 103299959
4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 43422935
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
CID 103298911
2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid
CID 107435853
3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide
CID 106630898
2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
CID 103299629
N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103298483
4-[methyl-(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43244916
4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid
CID 154841876
N-[3-(dimethylamino)propyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306050

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid (CID 103298703) is 4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)c1ncccc1F.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid?
The InChIKey is DYBXBUOGDPLUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-13(7-3-5-9(14)15)18(16,17)10-8(11)4-2-6-12-10/h2,4,6H,3,5,7H2,1H3,(H,14,15).
What are the key properties of 4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid?
4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid is sourced from PubChem (CID 103298703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).