2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one

C13H8ClNO3S — CID 592852

IUPAC2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one
SMILESO=C1c2cccnc2S(=O)(=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClNO3S/c14-9-5-3-8(4-6-9)12-11(16)10-2-1-7-15-13(10)19(12,17)18/h1-7,12H
InChIKeyJAFLVQOYIKVDEC-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.45
Rot. Bonds1

About 2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one

2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one (PubChem CID 592852) has the molecular formula C13H8ClNO3S and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one
PubChem CID592852
Molecular FormulaC13H8ClNO3S
Molecular Weight293.73 g/mol
Exact Mass292.99
IUPAC Name2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one
SMILESO=C1c2cccnc2S(=O)(=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClNO3S/c14-9-5-3-8(4-6-9)12-11(16)10-2-1-7-15-13(10)19(12,17)18/h1-7,12H
InChIKeyJAFLVQOYIKVDEC-UHFFFAOYSA-N
XLogP2.45
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one (CID 592852) is 2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one is O=C1c2cccnc2S(=O)(=O)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one?
The InChIKey is JAFLVQOYIKVDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3S/c14-9-5-3-8(4-6-9)12-11(16)10-2-1-7-15-13(10)19(12,17)18/h1-7,12H.
What are the key properties of 2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one?
2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one has a molecular weight of 293.73 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,1-dioxothieno[2,3-b]pyridin-3-one is sourced from PubChem (CID 592852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).