(5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone

C18H11NO4S — CID 12717850

IUPAC(5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnc2c(c1)S(=O)(=O)c1ccccc1-2)c1ccccc1O
InChIInChI=1S/C18H11NO4S/c20-14-7-3-1-5-12(14)18(21)11-9-16-17(19-10-11)13-6-2-4-8-15(13)24(16,22)23/h1-10,20H
InChIKeyVMPWREXKSDEOMP-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.83
Rot. Bonds2

About (5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone

(5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone (PubChem CID 12717850) has the molecular formula C18H11NO4S and a molecular weight of 337.36 g/mol. Its IUPAC name is (5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone
PubChem CID12717850
Molecular FormulaC18H11NO4S
Molecular Weight337.36 g/mol
Exact Mass337.04
IUPAC Name(5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnc2c(c1)S(=O)(=O)c1ccccc1-2)c1ccccc1O
InChIInChI=1S/C18H11NO4S/c20-14-7-3-1-5-12(14)18(21)11-9-16-17(19-10-11)13-6-2-4-8-15(13)24(16,22)23/h1-10,20H
InChIKeyVMPWREXKSDEOMP-UHFFFAOYSA-N
XLogP2.83
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone (CID 12717850) is (5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone is O=C(c1cnc2c(c1)S(=O)(=O)c1ccccc1-2)c1ccccc1O.
What is the InChIKey of (5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is VMPWREXKSDEOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4S/c20-14-7-3-1-5-12(14)18(21)11-9-16-17(19-10-11)13-6-2-4-8-15(13)24(16,22)23/h1-10,20H.
What are the key properties of (5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone?
(5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 337.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 12717850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).