3-(2-ethylsulfonylethoxy)-4-methoxyaniline

C11H17NO4S — CID 43807344

IUPAC3-(2-ethylsulfonylethoxy)-4-methoxyaniline
SMILESCCS(=O)(=O)CCOc1cc(N)ccc1OC
InChIInChI=1S/C11H17NO4S/c1-3-17(13,14)7-6-16-11-8-9(12)4-5-10(11)15-2/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyBMMKOAGLMCKBSJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.09
Rot. Bonds6

About 3-(2-ethylsulfonylethoxy)-4-methoxyaniline

3-(2-ethylsulfonylethoxy)-4-methoxyaniline (PubChem CID 43807344) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(2-ethylsulfonylethoxy)-4-methoxyaniline.

Molecular Properties

Compound Name3-(2-ethylsulfonylethoxy)-4-methoxyaniline
PubChem CID43807344
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name3-(2-ethylsulfonylethoxy)-4-methoxyaniline
SMILESCCS(=O)(=O)CCOc1cc(N)ccc1OC
InChIInChI=1S/C11H17NO4S/c1-3-17(13,14)7-6-16-11-8-9(12)4-5-10(11)15-2/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyBMMKOAGLMCKBSJ-UHFFFAOYSA-N
XLogP1.09
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-ethylsulfonylethoxy)-4-methoxyaniline 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

4-(2-ethylsulfonylethoxy)-3-(trifluoromethyl)aniline
CID 61389495
2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728330
3-(5-amino-2-methoxyphenoxy)propanoic acid
CID 63948669
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058
methyl 3-(5-amino-2-methoxyphenoxy)propanoate
CID 63948668
3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline
CID 114112344
4-methoxy-3-(3-phenoxypropoxy)aniline
CID 62936938
4-(2-ethylsulfonylethoxy)-3-methoxybenzonitrile
CID 43807788
methyl 5-amino-2-(3-ethylsulfonylpropoxy)benzoate
CID 106955849
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 43807425
4-ethylsulfonyl-3-methoxyaniline
CID 81207779

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfonylethoxy)-4-methoxyaniline?
The IUPAC name of 3-(2-ethylsulfonylethoxy)-4-methoxyaniline (CID 43807344) is 3-(2-ethylsulfonylethoxy)-4-methoxyaniline.
What is the SMILES notation for 3-(2-ethylsulfonylethoxy)-4-methoxyaniline?
The canonical SMILES for 3-(2-ethylsulfonylethoxy)-4-methoxyaniline is CCS(=O)(=O)CCOc1cc(N)ccc1OC.
What is the InChIKey of 3-(2-ethylsulfonylethoxy)-4-methoxyaniline?
The InChIKey is BMMKOAGLMCKBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-3-17(13,14)7-6-16-11-8-9(12)4-5-10(11)15-2/h4-5,8H,3,6-7,12H2,1-2H3.
What are the key properties of 3-(2-ethylsulfonylethoxy)-4-methoxyaniline?
3-(2-ethylsulfonylethoxy)-4-methoxyaniline has a molecular weight of 259.33 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfonylethoxy)-4-methoxyaniline is sourced from PubChem (CID 43807344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).