6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol

C9H9ClFNO4S — CID 118540480

IUPAC6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol
SMILESNc1ccc(Cl)c(S(=O)(=O)C2(F)COC2)c1O
InChIInChI=1S/C9H9ClFNO4S/c10-5-1-2-6(12)7(13)8(5)17(14,15)9(11)3-16-4-9/h1-2,13H,3-4,12H2
InChIKeyVNBVVINYVQZERI-UHFFFAOYSA-N
MW281.69 g/mol
LogP1.10
Rot. Bonds2

About 6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol

6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol (PubChem CID 118540480) has the molecular formula C9H9ClFNO4S and a molecular weight of 281.69 g/mol. Its IUPAC name is 6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol.

Molecular Properties

Compound Name6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol
PubChem CID118540480
Molecular FormulaC9H9ClFNO4S
Molecular Weight281.69 g/mol
Exact Mass280.99
IUPAC Name6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol
SMILESNc1ccc(Cl)c(S(=O)(=O)C2(F)COC2)c1O
InChIInChI=1S/C9H9ClFNO4S/c10-5-1-2-6(12)7(13)8(5)17(14,15)9(11)3-16-4-9/h1-2,13H,3-4,12H2
InChIKeyVNBVVINYVQZERI-UHFFFAOYSA-N
XLogP1.10
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol?
The IUPAC name of 6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol (CID 118540480) is 6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol.
What is the SMILES notation for 6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol?
The canonical SMILES for 6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol is Nc1ccc(Cl)c(S(=O)(=O)C2(F)COC2)c1O.
What is the InChIKey of 6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol?
The InChIKey is VNBVVINYVQZERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO4S/c10-5-1-2-6(12)7(13)8(5)17(14,15)9(11)3-16-4-9/h1-2,13H,3-4,12H2.
What are the key properties of 6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol?
6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol has a molecular weight of 281.69 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol is sourced from PubChem (CID 118540480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).