3-[2-(4-methylsulfonylanilino)ethoxy]aniline

C15H18N2O3S — CID 61031379

IUPAC3-[2-(4-methylsulfonylanilino)ethoxy]aniline
SMILESCS(=O)(=O)c1ccc(NCCOc2cccc(N)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-21(18,19)15-7-5-13(6-8-15)17-9-10-20-14-4-2-3-12(16)11-14/h2-8,11,17H,9-10,16H2,1H3
InChIKeyOKLDQKXLFYSVIN-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.16
Rot. Bonds6

About 3-[2-(4-methylsulfonylanilino)ethoxy]aniline

3-[2-(4-methylsulfonylanilino)ethoxy]aniline (PubChem CID 61031379) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[2-(4-methylsulfonylanilino)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(4-methylsulfonylanilino)ethoxy]aniline
PubChem CID61031379
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-[2-(4-methylsulfonylanilino)ethoxy]aniline
SMILESCS(=O)(=O)c1ccc(NCCOc2cccc(N)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-21(18,19)15-7-5-13(6-8-15)17-9-10-20-14-4-2-3-12(16)11-14/h2-8,11,17H,9-10,16H2,1H3
InChIKeyOKLDQKXLFYSVIN-UHFFFAOYSA-N
XLogP2.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(4-methylsulfonylanilino)ethoxy]aniline 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-[2-(ethylsulfamoylamino)ethoxy]aniline
CID 114804647
N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine
CID 83064262
N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520856
N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
CID 63237413
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
N-[2-(3-aminophenoxy)ethyl]-5-fluoropyrimidin-2-amine
CID 113432130
N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
CID 61031885
N-[2-(3-aminophenoxy)ethyl]-5-fluoro-2-nitroaniline
CID 63238025
N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide
CID 78841739
N-(cyclopropylmethyl)-2-(3-methylsulfonylphenoxy)ethanamine
CID 55093216
N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
CID 54915246

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylsulfonylanilino)ethoxy]aniline?
The IUPAC name of 3-[2-(4-methylsulfonylanilino)ethoxy]aniline (CID 61031379) is 3-[2-(4-methylsulfonylanilino)ethoxy]aniline.
What is the SMILES notation for 3-[2-(4-methylsulfonylanilino)ethoxy]aniline?
The canonical SMILES for 3-[2-(4-methylsulfonylanilino)ethoxy]aniline is CS(=O)(=O)c1ccc(NCCOc2cccc(N)c2)cc1.
What is the InChIKey of 3-[2-(4-methylsulfonylanilino)ethoxy]aniline?
The InChIKey is OKLDQKXLFYSVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-21(18,19)15-7-5-13(6-8-15)17-9-10-20-14-4-2-3-12(16)11-14/h2-8,11,17H,9-10,16H2,1H3.
What are the key properties of 3-[2-(4-methylsulfonylanilino)ethoxy]aniline?
3-[2-(4-methylsulfonylanilino)ethoxy]aniline has a molecular weight of 306.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylsulfonylanilino)ethoxy]aniline is sourced from PubChem (CID 61031379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).