2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one

C16H12N2O2S — CID 5155591

IUPAC2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2ccccc2SC1C1C(=O)Nc2ccccc21
InChIInChI=1S/C16H12N2O2S/c19-15-13(9-5-1-2-6-10(9)17-15)14-16(20)18-11-7-3-4-8-12(11)21-14/h1-8,13-14H,(H,17,19)(H,18,20)
InChIKeyAUARXOJHEONWNE-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.84
Rot. Bonds1

About 2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one

2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one (PubChem CID 5155591) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one
PubChem CID5155591
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2ccccc2SC1C1C(=O)Nc2ccccc21
InChIInChI=1S/C16H12N2O2S/c19-15-13(9-5-1-2-6-10(9)17-15)14-16(20)18-11-7-3-4-8-12(11)21-14/h1-8,13-14H,(H,17,19)(H,18,20)
InChIKeyAUARXOJHEONWNE-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one (CID 5155591) is 2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one is O=C1Nc2ccccc2SC1C1C(=O)Nc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one?
The InChIKey is AUARXOJHEONWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-15-13(9-5-1-2-6-10(9)17-15)14-16(20)18-11-7-3-4-8-12(11)21-14/h1-8,13-14H,(H,17,19)(H,18,20).
What are the key properties of 2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one?
2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one has a molecular weight of 296.35 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydroindol-3-yl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 5155591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).