N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide

C16H15N3O5S — CID 2323166

IUPACN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1OC
InChIInChI=1S/C16H15N3O5S/c1-23-12-8-7-10(9-13(12)24-2)16(20)18-17-15-11-5-3-4-6-14(11)25(21,22)19-15/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyHXBIQSPGPBYDOI-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.09
Rot. Bonds3

About N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide

N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide (PubChem CID 2323166) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide
PubChem CID2323166
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC NameN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1OC
InChIInChI=1S/C16H15N3O5S/c1-23-12-8-7-10(9-13(12)24-2)16(20)18-17-15-11-5-3-4-6-14(11)25(21,22)19-15/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyHXBIQSPGPBYDOI-UHFFFAOYSA-N
XLogP1.09
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide (CID 2323166) is N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1OC.
What is the InChIKey of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide?
The InChIKey is HXBIQSPGPBYDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-23-12-8-7-10(9-13(12)24-2)16(20)18-17-15-11-5-3-4-6-14(11)25(21,22)19-15/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide?
N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-3,4-dimethoxybenzohydrazide has a molecular weight of 361.38 g/mol, XLogP of 1.09, 3 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)-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 2323166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).