2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid

C11H15FN2O4S — CID 55123546

IUPAC2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O4S/c1-4-14(11(2,3)10(15)16)19(17,18)9-5-8(12)6-13-7-9/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyLCLCCYNEMNBRST-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.09
Rot. Bonds5

About 2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid

2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid (PubChem CID 55123546) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid
PubChem CID55123546
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O4S/c1-4-14(11(2,3)10(15)16)19(17,18)9-5-8(12)6-13-7-9/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyLCLCCYNEMNBRST-UHFFFAOYSA-N
XLogP1.09
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid (CID 55123546) is 2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid is CCN(C(C)(C)C(=O)O)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid?
The InChIKey is LCLCCYNEMNBRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-4-14(11(2,3)10(15)16)19(17,18)9-5-8(12)6-13-7-9/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-fluoro-3-pyridinyl)sulfonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).