4-ethoxy-2-(oxan-3-ylsulfonyl)aniline

C13H19NO4S — CID 107138172

IUPAC4-ethoxy-2-(oxan-3-ylsulfonyl)aniline
SMILESCCOc1ccc(N)c(S(=O)(=O)C2CCCOC2)c1
InChIInChI=1S/C13H19NO4S/c1-2-18-10-5-6-12(14)13(8-10)19(15,16)11-4-3-7-17-9-11/h5-6,8,11H,2-4,7,9,14H2,1H3
InChIKeyAFDJEDTVCHUKNJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.62
Rot. Bonds4

About 4-ethoxy-2-(oxan-3-ylsulfonyl)aniline

4-ethoxy-2-(oxan-3-ylsulfonyl)aniline (PubChem CID 107138172) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-ethoxy-2-(oxan-3-ylsulfonyl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-(oxan-3-ylsulfonyl)aniline
PubChem CID107138172
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-ethoxy-2-(oxan-3-ylsulfonyl)aniline
SMILESCCOc1ccc(N)c(S(=O)(=O)C2CCCOC2)c1
InChIInChI=1S/C13H19NO4S/c1-2-18-10-5-6-12(14)13(8-10)19(15,16)11-4-3-7-17-9-11/h5-6,8,11H,2-4,7,9,14H2,1H3
InChIKeyAFDJEDTVCHUKNJ-UHFFFAOYSA-N
XLogP1.62
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptylsulfonyl-4-ethoxyaniline
CID 82935829
4-ethoxy-2-(ethoxymethylsulfonyl)aniline
CID 81174679
2-fluoro-4-(oxan-3-ylsulfonyl)aniline
CID 107138203
4-ethoxy-2-(2-fluoroethylsulfonyl)aniline
CID 81176417
2-(2-amino-5-ethoxyphenyl)sulfonylacetamide
CID 81176156
4-ethoxy-2-(3-methylbutylsulfonyl)aniline
CID 81175786
4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline
CID 81175150
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide
CID 81175054
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175778
2-ethoxy-4-N-(oxan-3-yl)benzene-1,4-diamine
CID 55232763
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81176298
2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline
CID 81207066

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(oxan-3-ylsulfonyl)aniline?
The IUPAC name of 4-ethoxy-2-(oxan-3-ylsulfonyl)aniline (CID 107138172) is 4-ethoxy-2-(oxan-3-ylsulfonyl)aniline.
What is the SMILES notation for 4-ethoxy-2-(oxan-3-ylsulfonyl)aniline?
The canonical SMILES for 4-ethoxy-2-(oxan-3-ylsulfonyl)aniline is CCOc1ccc(N)c(S(=O)(=O)C2CCCOC2)c1.
What is the InChIKey of 4-ethoxy-2-(oxan-3-ylsulfonyl)aniline?
The InChIKey is AFDJEDTVCHUKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-18-10-5-6-12(14)13(8-10)19(15,16)11-4-3-7-17-9-11/h5-6,8,11H,2-4,7,9,14H2,1H3.
What are the key properties of 4-ethoxy-2-(oxan-3-ylsulfonyl)aniline?
4-ethoxy-2-(oxan-3-ylsulfonyl)aniline has a molecular weight of 285.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(oxan-3-ylsulfonyl)aniline is sourced from PubChem (CID 107138172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).