5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide

C15H18N2O4S — CID 3388852

IUPAC5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(N)ccc2OC)cc1
InChIInChI=1S/C15H18N2O4S/c1-3-21-13-7-5-12(6-8-13)17-22(18,19)15-10-11(16)4-9-14(15)20-2/h4-10,17H,3,16H2,1-2H3
InChIKeyAAOCXTAQSXUNCH-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.48
Rot. Bonds6

About 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide

5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide (PubChem CID 3388852) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
PubChem CID3388852
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(N)ccc2OC)cc1
InChIInChI=1S/C15H18N2O4S/c1-3-21-13-7-5-12(6-8-13)17-22(18,19)15-10-11(16)4-9-14(15)20-2/h4-10,17H,3,16H2,1-2H3
InChIKeyAAOCXTAQSXUNCH-UHFFFAOYSA-N
XLogP2.48
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide (CID 3388852) is 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(N)ccc2OC)cc1.
What is the InChIKey of 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is AAOCXTAQSXUNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-3-21-13-7-5-12(6-8-13)17-22(18,19)15-10-11(16)4-9-14(15)20-2/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3388852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).