2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid

C14H13FN2O5S — CID 70167163

IUPAC2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O
InChIInChI=1S/C14H13FN2O5S/c15-11-5-2-1-4-10(11)9-23(21,22)16-12-6-3-7-17(14(12)20)8-13(18)19/h1-7,16H,8-9H2,(H,18,19)
InChIKeyUKNVIEPQHITHGU-UHFFFAOYSA-N
MW340.33 g/mol
LogP1.01
Rot. Bonds6

About 2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid

2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 70167163) has the molecular formula C14H13FN2O5S and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid
PubChem CID70167163
Molecular FormulaC14H13FN2O5S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O
InChIInChI=1S/C14H13FN2O5S/c15-11-5-2-1-4-10(11)9-23(21,22)16-12-6-3-7-17(14(12)20)8-13(18)19/h1-7,16H,8-9H2,(H,18,19)
InChIKeyUKNVIEPQHITHGU-UHFFFAOYSA-N
XLogP1.01
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid (CID 70167163) is 2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is UKNVIEPQHITHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5S/c15-11-5-2-1-4-10(11)9-23(21,22)16-12-6-3-7-17(14(12)20)8-13(18)19/h1-7,16H,8-9H2,(H,18,19).
What are the key properties of 2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid?
2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 340.33 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 70167163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).