N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide

C17H20N2O4S — CID 110517514

IUPACN-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
SMILESCCc1ccc(/C=N/NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-13-5-7-14(8-6-13)12-18-19-24(20,21)15-9-10-16(22-2)17(11-15)23-3/h5-12,19H,4H2,1-3H3/b18-12+
InChIKeyLDXJEPLIQZWVGZ-LDADJPATSA-N
MW348.42 g/mol
LogP2.58
Rot. Bonds7

About N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide

N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide (PubChem CID 110517514) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
PubChem CID110517514
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
SMILESCCc1ccc(/C=N/NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-13-5-7-14(8-6-13)12-18-19-24(20,21)15-9-10-16(22-2)17(11-15)23-3/h5-12,19H,4H2,1-3H3/b18-12+
InChIKeyLDXJEPLIQZWVGZ-LDADJPATSA-N
XLogP2.58
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide 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

3,4-dimethoxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517554
3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110517562
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517434
3,4-dimethoxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517474
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135873358
N-[(E)-(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517477
N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 136873554
3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110517456
3,4-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517450
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
3,4-dichloro-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516081
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135958003

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide (CID 110517514) is N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide is CCc1ccc(/C=N/NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is LDXJEPLIQZWVGZ-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-13-5-7-14(8-6-13)12-18-19-24(20,21)15-9-10-16(22-2)17(11-15)23-3/h5-12,19H,4H2,1-3H3/b18-12+.
What are the key properties of N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110517514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).