2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid

C10H13FN2O4S — CID 55207740

IUPAC2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C10H13FN2O4S/c1-2-3-13(7-10(14)15)18(16,17)9-4-8(11)5-12-6-9/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyQZOFJTCTODISFZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.71
Rot. Bonds6

About 2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid

2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid (PubChem CID 55207740) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid
PubChem CID55207740
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C10H13FN2O4S/c1-2-3-13(7-10(14)15)18(16,17)9-4-8(11)5-12-6-9/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyQZOFJTCTODISFZ-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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid (CID 55207740) is 2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid is CCCN(CC(=O)O)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid?
The InChIKey is QZOFJTCTODISFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-2-3-13(7-10(14)15)18(16,17)9-4-8(11)5-12-6-9/h4-6H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid?
2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic 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 2-[(5-fluoro-3-pyridinyl)sulfonyl-propylamino]acetic acid is sourced from PubChem (CID 55207740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).