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

C21H23N3O3S — CID 54582653

IUPACN'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide
SMILESCCOc1ccc2c(NNS(=O)(=O)c3ccccc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C21H23N3O3S/c1-2-27-15-12-13-18-20(14-15)22-19-11-7-6-10-17(19)21(18)23-24-28(25,26)16-8-4-3-5-9-16/h3-5,8-9,12-14,24H,2,6-7,10-11H2,1H3,(H,22,23)
InChIKeyCIHQMWXACUCYMF-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.82
Rot. Bonds6

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

N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide (PubChem CID 54582653) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide
PubChem CID54582653
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide
SMILESCCOc1ccc2c(NNS(=O)(=O)c3ccccc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C21H23N3O3S/c1-2-27-15-12-13-18-20(14-15)22-19-11-7-6-10-17(19)21(18)23-24-28(25,26)16-8-4-3-5-9-16/h3-5,8-9,12-14,24H,2,6-7,10-11H2,1H3,(H,22,23)
InChIKeyCIHQMWXACUCYMF-UHFFFAOYSA-N
XLogP3.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 149775
CID 149775
CID 12213928
CID 12213928
CID 142291664
CID 142291664
CID 149393
CID 149393
CID 44353696
CID 44353696
CID 44537220
CID 44537220
CID 44537221
CID 44537221
CID 44537228
CID 44537228
CID 44537230
CID 44537230
CID 44537231
CID 44537231
CID 54582652
CID 54582652
CID 54587548
CID 54587548

Frequently Asked Questions

What is the IUPAC name of N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide?
The IUPAC name of N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide (CID 54582653) is N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide.
What is the SMILES notation for N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide?
The canonical SMILES for N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide is CCOc1ccc2c(NNS(=O)(=O)c3ccccc3)c3c(nc2c1)CCCC3.
What is the InChIKey of N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide?
The InChIKey is CIHQMWXACUCYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-2-27-15-12-13-18-20(14-15)22-19-11-7-6-10-17(19)21(18)23-24-28(25,26)16-8-4-3-5-9-16/h3-5,8-9,12-14,24H,2,6-7,10-11H2,1H3,(H,22,23).
What are the key properties of N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide?
N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide has a molecular weight of 397.50 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)benzenesulfonohydrazide is sourced from PubChem (CID 54582653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).