6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol

C10H13ClFNO3S — CID 118540613

IUPAC6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol
SMILESCC(C)(CF)S(=O)(=O)c1c(Cl)ccc(N)c1O
InChIInChI=1S/C10H13ClFNO3S/c1-10(2,5-12)17(15,16)9-6(11)3-4-7(13)8(9)14/h3-4,14H,5,13H2,1-2H3
InChIKeyZHFIZNAGWSHSHQ-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.15
Rot. Bonds3

About 6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol

6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol (PubChem CID 118540613) has the molecular formula C10H13ClFNO3S and a molecular weight of 281.74 g/mol. Its IUPAC name is 6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol.

Molecular Properties

Compound Name6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol
PubChem CID118540613
Molecular FormulaC10H13ClFNO3S
Molecular Weight281.74 g/mol
Exact Mass281.03
IUPAC Name6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol
SMILESCC(C)(CF)S(=O)(=O)c1c(Cl)ccc(N)c1O
InChIInChI=1S/C10H13ClFNO3S/c1-10(2,5-12)17(15,16)9-6(11)3-4-7(13)8(9)14/h3-4,14H,5,13H2,1-2H3
InChIKeyZHFIZNAGWSHSHQ-UHFFFAOYSA-N
XLogP2.15
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.15
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 6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol?
The IUPAC name of 6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol (CID 118540613) is 6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol.
What is the SMILES notation for 6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol?
The canonical SMILES for 6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol is CC(C)(CF)S(=O)(=O)c1c(Cl)ccc(N)c1O.
What is the InChIKey of 6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol?
The InChIKey is ZHFIZNAGWSHSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO3S/c1-10(2,5-12)17(15,16)9-6(11)3-4-7(13)8(9)14/h3-4,14H,5,13H2,1-2H3.
What are the key properties of 6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol?
6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol has a molecular weight of 281.74 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol is sourced from PubChem (CID 118540613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).