2-amino-3-fluoro-5-methylsulfonylphenol

C7H8FNO3S — CID 178073830

IUPAC2-amino-3-fluoro-5-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(O)c(N)c(F)c1
InChIInChI=1S/C7H8FNO3S/c1-13(11,12)4-2-5(8)7(9)6(10)3-4/h2-3,10H,9H2,1H3
InChIKeyAMPBYSKSXMQMJC-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.52
Rot. Bonds1

About 2-amino-3-fluoro-5-methylsulfonylphenol

2-amino-3-fluoro-5-methylsulfonylphenol (PubChem CID 178073830) has the molecular formula C7H8FNO3S and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-amino-3-fluoro-5-methylsulfonylphenol.

Molecular Properties

Compound Name2-amino-3-fluoro-5-methylsulfonylphenol
PubChem CID178073830
Molecular FormulaC7H8FNO3S
Molecular Weight205.21 g/mol
Exact Mass205.02
IUPAC Name2-amino-3-fluoro-5-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(O)c(N)c(F)c1
InChIInChI=1S/C7H8FNO3S/c1-13(11,12)4-2-5(8)7(9)6(10)3-4/h2-3,10H,9H2,1H3
InChIKeyAMPBYSKSXMQMJC-UHFFFAOYSA-N
XLogP0.52
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.52
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-3-fluoro-5-methylsulfonylphenol?
The IUPAC name of 2-amino-3-fluoro-5-methylsulfonylphenol (CID 178073830) is 2-amino-3-fluoro-5-methylsulfonylphenol.
What is the SMILES notation for 2-amino-3-fluoro-5-methylsulfonylphenol?
The canonical SMILES for 2-amino-3-fluoro-5-methylsulfonylphenol is CS(=O)(=O)c1cc(O)c(N)c(F)c1.
What is the InChIKey of 2-amino-3-fluoro-5-methylsulfonylphenol?
The InChIKey is AMPBYSKSXMQMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3S/c1-13(11,12)4-2-5(8)7(9)6(10)3-4/h2-3,10H,9H2,1H3.
What are the key properties of 2-amino-3-fluoro-5-methylsulfonylphenol?
2-amino-3-fluoro-5-methylsulfonylphenol has a molecular weight of 205.21 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-5-methylsulfonylphenol is sourced from PubChem (CID 178073830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).