N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide

C20H22N4O3S — CID 54582652

IUPACN'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide
SMILESCCOc1ccc2c(NNS(=O)(=O)c3ccccn3)c3c(nc2c1)CCCC3
InChIInChI=1S/C20H22N4O3S/c1-2-27-14-10-11-16-18(13-14)22-17-8-4-3-7-15(17)20(16)23-24-28(25,26)19-9-5-6-12-21-19/h5-6,9-13,24H,2-4,7-8H2,1H3,(H,22,23)
InChIKeyFLZSZRDJNSONHD-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.21
Rot. Bonds6

About N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide

N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide (PubChem CID 54582652) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide.

Molecular Properties

Compound NameN'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide
PubChem CID54582652
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide
SMILESCCOc1ccc2c(NNS(=O)(=O)c3ccccn3)c3c(nc2c1)CCCC3
InChIInChI=1S/C20H22N4O3S/c1-2-27-14-10-11-16-18(13-14)22-17-8-4-3-7-15(17)20(16)23-24-28(25,26)19-9-5-6-12-21-19/h5-6,9-13,24H,2-4,7-8H2,1H3,(H,22,23)
InChIKeyFLZSZRDJNSONHD-UHFFFAOYSA-N
XLogP3.21
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.21
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'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide?
The IUPAC name of N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide (CID 54582652) is N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide.
What is the SMILES notation for N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide?
The canonical SMILES for N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide is CCOc1ccc2c(NNS(=O)(=O)c3ccccn3)c3c(nc2c1)CCCC3.
What is the InChIKey of N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide?
The InChIKey is FLZSZRDJNSONHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-2-27-14-10-11-16-18(13-14)22-17-8-4-3-7-15(17)20(16)23-24-28(25,26)19-9-5-6-12-21-19/h5-6,9-13,24H,2-4,7-8H2,1H3,(H,22,23).
What are the key properties of N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide?
N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide has a molecular weight of 398.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyridine-2-sulfonohydrazide is sourced from PubChem (CID 54582652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).