N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide

C17H12N4O5S — CID 1207620

IUPACN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NNC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C17H12N4O5S/c22-14(9-21-16(23)10-5-1-2-6-11(10)17(21)24)18-19-15-12-7-3-4-8-13(12)27(25,26)20-15/h1-8H,9H2,(H,18,22)(H,19,20)
InChIKeyIJPZQEGABRNUQT-UHFFFAOYSA-N
MW384.37 g/mol
LogP0.05
Rot. Bonds2

About N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide

N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide (PubChem CID 1207620) has the molecular formula C17H12N4O5S and a molecular weight of 384.37 g/mol. Its IUPAC name is N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide
PubChem CID1207620
Molecular FormulaC17H12N4O5S
Molecular Weight384.37 g/mol
Exact Mass384.05
IUPAC NameN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NNC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C17H12N4O5S/c22-14(9-21-16(23)10-5-1-2-6-11(10)17(21)24)18-19-15-12-7-3-4-8-13(12)27(25,26)20-15/h1-8H,9H2,(H,18,22)(H,19,20)
InChIKeyIJPZQEGABRNUQT-UHFFFAOYSA-N
XLogP0.05
TPSA125.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide?
The IUPAC name of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide (CID 1207620) is N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide.
What is the SMILES notation for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide?
The canonical SMILES for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide is O=C(CN1C(=O)c2ccccc2C1=O)NNC1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide?
The InChIKey is IJPZQEGABRNUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O5S/c22-14(9-21-16(23)10-5-1-2-6-11(10)17(21)24)18-19-15-12-7-3-4-8-13(12)27(25,26)20-15/h1-8H,9H2,(H,18,22)(H,19,20).
What are the key properties of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide?
N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide has a molecular weight of 384.37 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide is sourced from PubChem (CID 1207620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).