1-(2-amino-4-methylsulfonylphenyl)ethenol

C9H11NO3S — CID 20821593

IUPAC1-(2-amino-4-methylsulfonylphenyl)ethenol
SMILESC=C(O)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C9H11NO3S/c1-6(11)8-4-3-7(5-9(8)10)14(2,12)13/h3-5,11H,1,10H2,2H3
InChIKeyJLRYKKHNEFWTFD-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.20
Rot. Bonds2

About 1-(2-amino-4-methylsulfonylphenyl)ethenol

1-(2-amino-4-methylsulfonylphenyl)ethenol (PubChem CID 20821593) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-(2-amino-4-methylsulfonylphenyl)ethenol.

Molecular Properties

Compound Name1-(2-amino-4-methylsulfonylphenyl)ethenol
PubChem CID20821593
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name1-(2-amino-4-methylsulfonylphenyl)ethenol
SMILESC=C(O)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C9H11NO3S/c1-6(11)8-4-3-7(5-9(8)10)14(2,12)13/h3-5,11H,1,10H2,2H3
InChIKeyJLRYKKHNEFWTFD-UHFFFAOYSA-N
XLogP1.20
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylsulfonylphenyl)ethenol?
The IUPAC name of 1-(2-amino-4-methylsulfonylphenyl)ethenol (CID 20821593) is 1-(2-amino-4-methylsulfonylphenyl)ethenol.
What is the SMILES notation for 1-(2-amino-4-methylsulfonylphenyl)ethenol?
The canonical SMILES for 1-(2-amino-4-methylsulfonylphenyl)ethenol is C=C(O)c1ccc(S(C)(=O)=O)cc1N.
What is the InChIKey of 1-(2-amino-4-methylsulfonylphenyl)ethenol?
The InChIKey is JLRYKKHNEFWTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6(11)8-4-3-7(5-9(8)10)14(2,12)13/h3-5,11H,1,10H2,2H3.
What are the key properties of 1-(2-amino-4-methylsulfonylphenyl)ethenol?
1-(2-amino-4-methylsulfonylphenyl)ethenol has a molecular weight of 213.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylsulfonylphenyl)ethenol is sourced from PubChem (CID 20821593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).