2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid

C15H15FN2O5S — CID 11703116

IUPAC2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)O
InChIInChI=1S/C15H15FN2O5S/c1-10-2-7-13(15(21)18(10)8-14(19)20)17-24(22,23)9-11-3-5-12(16)6-4-11/h2-7,17H,8-9H2,1H3,(H,19,20)
InChIKeyWQNXZHNDSJQKNB-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.32
Rot. Bonds6

About 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid

2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid (PubChem CID 11703116) has the molecular formula C15H15FN2O5S and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid
PubChem CID11703116
Molecular FormulaC15H15FN2O5S
Molecular Weight354.36 g/mol
Exact Mass354.07
IUPAC Name2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)O
InChIInChI=1S/C15H15FN2O5S/c1-10-2-7-13(15(21)18(10)8-14(19)20)17-24(22,23)9-11-3-5-12(16)6-4-11/h2-7,17H,8-9H2,1H3,(H,19,20)
InChIKeyWQNXZHNDSJQKNB-UHFFFAOYSA-N
XLogP1.32
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid (CID 11703116) is 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid is Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is WQNXZHNDSJQKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5S/c1-10-2-7-13(15(21)18(10)8-14(19)20)17-24(22,23)9-11-3-5-12(16)6-4-11/h2-7,17H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid?
2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 354.36 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 11703116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).