(2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate

C18H15NO4S — CID 19748662

IUPAC(2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate
SMILESCS(=O)(=O)On1c(-c2ccccc2)cc(-c2ccccc2)cc1=O
InChIInChI=1S/C18H15NO4S/c1-24(21,22)23-19-17(15-10-6-3-7-11-15)12-16(13-18(19)20)14-8-4-2-5-9-14/h2-13H,1H3
InChIKeyQFXMKQXCRNNABY-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.57
Rot. Bonds4

About (2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate

(2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate (PubChem CID 19748662) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is (2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate.

Molecular Properties

Compound Name(2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate
PubChem CID19748662
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name(2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate
SMILESCS(=O)(=O)On1c(-c2ccccc2)cc(-c2ccccc2)cc1=O
InChIInChI=1S/C18H15NO4S/c1-24(21,22)23-19-17(15-10-6-3-7-11-15)12-16(13-18(19)20)14-8-4-2-5-9-14/h2-13H,1H3
InChIKeyQFXMKQXCRNNABY-UHFFFAOYSA-N
XLogP2.57
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate?
The IUPAC name of (2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate (CID 19748662) is (2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate.
What is the SMILES notation for (2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate?
The canonical SMILES for (2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate is CS(=O)(=O)On1c(-c2ccccc2)cc(-c2ccccc2)cc1=O.
What is the InChIKey of (2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate?
The InChIKey is QFXMKQXCRNNABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-24(21,22)23-19-17(15-10-6-3-7-11-15)12-16(13-18(19)20)14-8-4-2-5-9-14/h2-13H,1H3.
What are the key properties of (2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate?
(2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate has a molecular weight of 341.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate is sourced from PubChem (CID 19748662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).