3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid

C11H15FN2O4S — CID 55123381

IUPAC3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid
SMILESCCN(C(C)CC(=O)O)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O4S/c1-3-14(8(2)4-11(15)16)19(17,18)10-5-9(12)6-13-7-10/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyHNCHLXXQXVDFLL-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.09
Rot. Bonds6

About 3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid

3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid (PubChem CID 55123381) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid
PubChem CID55123381
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid
SMILESCCN(C(C)CC(=O)O)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O4S/c1-3-14(8(2)4-11(15)16)19(17,18)10-5-9(12)6-13-7-10/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyHNCHLXXQXVDFLL-UHFFFAOYSA-N
XLogP1.09
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid (CID 55123381) is 3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid is CCN(C(C)CC(=O)O)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid?
The InChIKey is HNCHLXXQXVDFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-3-14(8(2)4-11(15)16)19(17,18)10-5-9(12)6-13-7-10/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid?
3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]butanoic acid is sourced from PubChem (CID 55123381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).