4-(2-ethoxyethylsulfonyl)aniline

C10H15NO3S — CID 61368221

IUPAC4-(2-ethoxyethylsulfonyl)aniline
SMILESCCOCCS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H15NO3S/c1-2-14-7-8-15(12,13)10-5-3-9(11)4-6-10/h3-6H,2,7-8,11H2,1H3
InChIKeyPLERQNRWRBTORS-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.08
Rot. Bonds5

About 4-(2-ethoxyethylsulfonyl)aniline

4-(2-ethoxyethylsulfonyl)aniline (PubChem CID 61368221) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(2-ethoxyethylsulfonyl)aniline.

Molecular Properties

Compound Name4-(2-ethoxyethylsulfonyl)aniline
PubChem CID61368221
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-(2-ethoxyethylsulfonyl)aniline
SMILESCCOCCS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H15NO3S/c1-2-14-7-8-15(12,13)10-5-3-9(11)4-6-10/h3-6H,2,7-8,11H2,1H3
InChIKeyPLERQNRWRBTORS-UHFFFAOYSA-N
XLogP1.08
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-methoxypropoxy)ethylsulfonyl]aniline
CID 103182208
4-(2-ethoxyethylsulfonyl)-2-methylaniline
CID 81181513
4-(2-ethoxyethylsulfonyl)-3-methylaniline
CID 81192495
2-(4-aminophenyl)sulfonylethyl sulfite
CID 174595239
4-[2-(hydroxy-methylidene-oxo-λ6-sulfanyl)oxyethylsulfonyl]aniline
CID 147476168
N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide
CID 63245632
4-[2-(4-methylphenoxy)ethylsulfonyl]aniline
CID 39398000
1-(2-ethoxyethylsulfonyl)-3-methylbenzene
CID 91509365
4-[2-(ethylamino)ethylsulfonyl]aniline
CID 154432818
4-[2-(3-ethylphenoxy)ethylsulfonyl]aniline
CID 39436109
4-(3-ethoxypropylsulfonyl)-2-methylaniline
CID 81182343
4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline
CID 39404405

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylsulfonyl)aniline?
The IUPAC name of 4-(2-ethoxyethylsulfonyl)aniline (CID 61368221) is 4-(2-ethoxyethylsulfonyl)aniline.
What is the SMILES notation for 4-(2-ethoxyethylsulfonyl)aniline?
The canonical SMILES for 4-(2-ethoxyethylsulfonyl)aniline is CCOCCS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-(2-ethoxyethylsulfonyl)aniline?
The InChIKey is PLERQNRWRBTORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-2-14-7-8-15(12,13)10-5-3-9(11)4-6-10/h3-6H,2,7-8,11H2,1H3.
What are the key properties of 4-(2-ethoxyethylsulfonyl)aniline?
4-(2-ethoxyethylsulfonyl)aniline has a molecular weight of 229.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylsulfonyl)aniline is sourced from PubChem (CID 61368221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).