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

C14H11N3O3S — CID 765489

IUPACN'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide
SMILESO=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C14H11N3O3S/c18-14(10-6-2-1-3-7-10)16-15-13-11-8-4-5-9-12(11)21(19,20)17-13/h1-9H,(H,15,17)(H,16,18)
InChIKeyIOPZVJITKGRQLJ-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.07
Rot. Bonds1

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

N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide (PubChem CID 765489) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide
PubChem CID765489
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide
SMILESO=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C14H11N3O3S/c18-14(10-6-2-1-3-7-10)16-15-13-11-8-4-5-9-12(11)21(19,20)17-13/h1-9H,(H,15,17)(H,16,18)
InChIKeyIOPZVJITKGRQLJ-UHFFFAOYSA-N
XLogP1.07
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', '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)benzohydrazide?
The IUPAC name of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide (CID 765489) is N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide.
What is the SMILES notation for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide?
The canonical SMILES for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide is O=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide?
The InChIKey is IOPZVJITKGRQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-14(10-6-2-1-3-7-10)16-15-13-11-8-4-5-9-12(11)21(19,20)17-13/h1-9H,(H,15,17)(H,16,18).
What are the key properties of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide?
N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide has a molecular weight of 301.33 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide is sourced from PubChem (CID 765489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).