2-amino-4-ethylsulfonylphenol

C8H11NO3S — CID 643218

IUPAC2-amino-4-ethylsulfonylphenol
SMILESCCS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C8H11NO3S/c1-2-13(11,12)6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3
InChIKeyUPJVUFCLBYQKFH-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.77
Rot. Bonds2

About 2-amino-4-ethylsulfonylphenol

2-amino-4-ethylsulfonylphenol (PubChem CID 643218) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-amino-4-ethylsulfonylphenol.

Molecular Properties

Compound Name2-amino-4-ethylsulfonylphenol
PubChem CID643218
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-amino-4-ethylsulfonylphenol
SMILESCCS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C8H11NO3S/c1-2-13(11,12)6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3
InChIKeyUPJVUFCLBYQKFH-UHFFFAOYSA-N
XLogP0.77
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Aminophenol-4-sulfonamide
CID 66814
3-Amino-4-hydroxybenzenesulfonic acid
CID 7385
Phenol, 2-amino-4-(methylsulfonyl)-
CID 7382
4,4'-Sulphonylbis(2-aminophenol)
CID 82047
4-((4-Aminophenyl)sulfonyl)phenol
CID 117686
5-Ethylsulphonyl-o-anisidine
CID 79278
Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-
CID 81925
Phenol, 2-amino-5-[[2-(sulfooxy)ethyl]sulfonyl]-
CID 78454
Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]-
CID 78455
Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate)
CID 82342
3-Amino-4-hydroxybenzenesulfonyl fluoride
CID 305677
4-Hydroxymetanilanilide
CID 66453

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethylsulfonylphenol?
The IUPAC name of 2-amino-4-ethylsulfonylphenol (CID 643218) is 2-amino-4-ethylsulfonylphenol.
What is the SMILES notation for 2-amino-4-ethylsulfonylphenol?
The canonical SMILES for 2-amino-4-ethylsulfonylphenol is CCS(=O)(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-ethylsulfonylphenol?
The InChIKey is UPJVUFCLBYQKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-2-13(11,12)6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3.
What are the key properties of 2-amino-4-ethylsulfonylphenol?
2-amino-4-ethylsulfonylphenol has a molecular weight of 201.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethylsulfonylphenol is sourced from PubChem (CID 643218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).