2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid

C15H15NO6S — CID 18398303

IUPAC2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid
SMILESCCc1cc(=O)n(CC(=O)O)c(O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO6S/c1-2-10-8-12(17)16(9-13(18)19)15(20)14(10)23(21,22)11-6-4-3-5-7-11/h3-8,20H,2,9H2,1H3,(H,18,19)
InChIKeyZOINNKRBRRDJAX-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.03
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid

2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid (PubChem CID 18398303) has the molecular formula C15H15NO6S and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid
PubChem CID18398303
Molecular FormulaC15H15NO6S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC Name2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid
SMILESCCc1cc(=O)n(CC(=O)O)c(O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO6S/c1-2-10-8-12(17)16(9-13(18)19)15(20)14(10)23(21,22)11-6-4-3-5-7-11/h3-8,20H,2,9H2,1H3,(H,18,19)
InChIKeyZOINNKRBRRDJAX-UHFFFAOYSA-N
XLogP1.03
TPSA113.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid (CID 18398303) is 2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid is CCc1cc(=O)n(CC(=O)O)c(O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid?
The InChIKey is ZOINNKRBRRDJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S/c1-2-10-8-12(17)16(9-13(18)19)15(20)14(10)23(21,22)11-6-4-3-5-7-11/h3-8,20H,2,9H2,1H3,(H,18,19).
What are the key properties of 2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid?
2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid has a molecular weight of 337.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-4-ethyl-2-hydroxy-6-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 18398303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).