4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide

C18H22N2O6S — CID 2643188

IUPAC4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=Cc2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C18H22N2O6S/c1-5-26-14-7-9-15(10-8-14)27(21,22)20-19-12-13-6-11-16(23-2)18(25-4)17(13)24-3/h6-12,20H,5H2,1-4H3
InChIKeyFVLRGMVKMKZHKL-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.42
Rot. Bonds9

About 4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide

4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 2643188) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID2643188
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=Cc2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C18H22N2O6S/c1-5-26-14-7-9-15(10-8-14)27(21,22)20-19-12-13-6-11-16(23-2)18(25-4)17(13)24-3/h6-12,20H,5H2,1-4H3
InChIKeyFVLRGMVKMKZHKL-UHFFFAOYSA-N
XLogP2.42
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516729
4-ethoxy-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516667
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
4-bromo-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2590678
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516716
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 3991034
4-ethoxy-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 110516688
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 6908616
4-bromo-N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516039
4-ethoxy-N-[(Z)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 135624789
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 110516279

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide (CID 2643188) is 4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NN=Cc2ccc(OC)c(OC)c2OC)cc1.
What is the InChIKey of 4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is FVLRGMVKMKZHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-5-26-14-7-9-15(10-8-14)27(21,22)20-19-12-13-6-11-16(23-2)18(25-4)17(13)24-3/h6-12,20H,5H2,1-4H3.
What are the key properties of 4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 394.45 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 2643188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).