5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide

C13H9NO2S — CID 154703555

IUPAC5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide
SMILESNC(=O)c1cc2c(s1)-c1ccccc1C(=O)C2
InChIInChI=1S/C13H9NO2S/c14-13(16)11-6-7-5-10(15)8-3-1-2-4-9(8)12(7)17-11/h1-4,6H,5H2,(H2,14,16)
InChIKeyRLBFEVXRSKJNQQ-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.25
Rot. Bonds1

About 5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide

5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide (PubChem CID 154703555) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

Compound Name5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide
PubChem CID154703555
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide
SMILESNC(=O)c1cc2c(s1)-c1ccccc1C(=O)C2
InChIInChI=1S/C13H9NO2S/c14-13(16)11-6-7-5-10(15)8-3-1-2-4-9(8)12(7)17-11/h1-4,6H,5H2,(H2,14,16)
InChIKeyRLBFEVXRSKJNQQ-UHFFFAOYSA-N
XLogP2.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide?
The IUPAC name of 5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide (CID 154703555) is 5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide.
What is the SMILES notation for 5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide?
The canonical SMILES for 5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide is NC(=O)c1cc2c(s1)-c1ccccc1C(=O)C2.
What is the InChIKey of 5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide?
The InChIKey is RLBFEVXRSKJNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c14-13(16)11-6-7-5-10(15)8-3-1-2-4-9(8)12(7)17-11/h1-4,6H,5H2,(H2,14,16).
What are the key properties of 5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide?
5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4H-benzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 154703555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).