N-(5,5-dioxodibenzothiophen-2-yl)formamide

C13H9NO3S — CID 10244297

IUPACN-(5,5-dioxodibenzothiophen-2-yl)formamide
SMILESO=CNc1ccc2c(c1)-c1ccccc1S2(=O)=O
InChIInChI=1S/C13H9NO3S/c15-8-14-9-5-6-13-11(7-9)10-3-1-2-4-12(10)18(13,16)17/h1-8H,(H,14,15)
InChIKeyLZMIYIFIOLFGIT-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.07
Rot. Bonds2

About N-(5,5-dioxodibenzothiophen-2-yl)formamide

N-(5,5-dioxodibenzothiophen-2-yl)formamide (PubChem CID 10244297) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(5,5-dioxodibenzothiophen-2-yl)formamide.

Molecular Properties

Compound NameN-(5,5-dioxodibenzothiophen-2-yl)formamide
PubChem CID10244297
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC NameN-(5,5-dioxodibenzothiophen-2-yl)formamide
SMILESO=CNc1ccc2c(c1)-c1ccccc1S2(=O)=O
InChIInChI=1S/C13H9NO3S/c15-8-14-9-5-6-13-11(7-9)10-3-1-2-4-12(10)18(13,16)17/h1-8H,(H,14,15)
InChIKeyLZMIYIFIOLFGIT-UHFFFAOYSA-N
XLogP2.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxodibenzothiophen-2-yl)formamide?
The IUPAC name of N-(5,5-dioxodibenzothiophen-2-yl)formamide (CID 10244297) is N-(5,5-dioxodibenzothiophen-2-yl)formamide.
What is the SMILES notation for N-(5,5-dioxodibenzothiophen-2-yl)formamide?
The canonical SMILES for N-(5,5-dioxodibenzothiophen-2-yl)formamide is O=CNc1ccc2c(c1)-c1ccccc1S2(=O)=O.
What is the InChIKey of N-(5,5-dioxodibenzothiophen-2-yl)formamide?
The InChIKey is LZMIYIFIOLFGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c15-8-14-9-5-6-13-11(7-9)10-3-1-2-4-12(10)18(13,16)17/h1-8H,(H,14,15).
What are the key properties of N-(5,5-dioxodibenzothiophen-2-yl)formamide?
N-(5,5-dioxodibenzothiophen-2-yl)formamide has a molecular weight of 259.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxodibenzothiophen-2-yl)formamide is sourced from PubChem (CID 10244297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).