2-amino-6-bromo-4-ethylsulfonylphenol

C8H10BrNO3S — CID 118467654

IUPAC2-amino-6-bromo-4-ethylsulfonylphenol
SMILESCCS(=O)(=O)c1cc(N)c(O)c(Br)c1
InChIInChI=1S/C8H10BrNO3S/c1-2-14(12,13)5-3-6(9)8(11)7(10)4-5/h3-4,11H,2,10H2,1H3
InChIKeyLRHGNERLFONKMO-UHFFFAOYSA-N
MW280.14 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-6-bromo-4-ethylsulfonylphenol

2-amino-6-bromo-4-ethylsulfonylphenol (PubChem CID 118467654) has the molecular formula C8H10BrNO3S and a molecular weight of 280.14 g/mol. Its IUPAC name is 2-amino-6-bromo-4-ethylsulfonylphenol.

Molecular Properties

Compound Name2-amino-6-bromo-4-ethylsulfonylphenol
PubChem CID118467654
Molecular FormulaC8H10BrNO3S
Molecular Weight280.14 g/mol
Exact Mass278.96
IUPAC Name2-amino-6-bromo-4-ethylsulfonylphenol
SMILESCCS(=O)(=O)c1cc(N)c(O)c(Br)c1
InChIInChI=1S/C8H10BrNO3S/c1-2-14(12,13)5-3-6(9)8(11)7(10)4-5/h3-4,11H,2,10H2,1H3
InChIKeyLRHGNERLFONKMO-UHFFFAOYSA-N
XLogP1.53
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-ethylsulfonylphenol?
The IUPAC name of 2-amino-6-bromo-4-ethylsulfonylphenol (CID 118467654) is 2-amino-6-bromo-4-ethylsulfonylphenol.
What is the SMILES notation for 2-amino-6-bromo-4-ethylsulfonylphenol?
The canonical SMILES for 2-amino-6-bromo-4-ethylsulfonylphenol is CCS(=O)(=O)c1cc(N)c(O)c(Br)c1.
What is the InChIKey of 2-amino-6-bromo-4-ethylsulfonylphenol?
The InChIKey is LRHGNERLFONKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3S/c1-2-14(12,13)5-3-6(9)8(11)7(10)4-5/h3-4,11H,2,10H2,1H3.
What are the key properties of 2-amino-6-bromo-4-ethylsulfonylphenol?
2-amino-6-bromo-4-ethylsulfonylphenol has a molecular weight of 280.14 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-4-ethylsulfonylphenol is sourced from PubChem (CID 118467654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).