2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol

C15H12Cl2FNO3S — CID 146604296

IUPAC2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCC1c1ccccc1F
InChIInChI=1S/C15H12Cl2FNO3S/c16-9-7-11(17)15(20)14(8-9)23(21,22)19-6-5-13(19)10-3-1-2-4-12(10)18/h1-4,7-8,13,20H,5-6H2
InChIKeyKYBCVZYOOHEJCK-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.97
Rot. Bonds3

About 2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol

2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol (PubChem CID 146604296) has the molecular formula C15H12Cl2FNO3S and a molecular weight of 376.24 g/mol. Its IUPAC name is 2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol.

Molecular Properties

Compound Name2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol
PubChem CID146604296
Molecular FormulaC15H12Cl2FNO3S
Molecular Weight376.24 g/mol
Exact Mass374.99
IUPAC Name2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCC1c1ccccc1F
InChIInChI=1S/C15H12Cl2FNO3S/c16-9-7-11(17)15(20)14(8-9)23(21,22)19-6-5-13(19)10-3-1-2-4-12(10)18/h1-4,7-8,13,20H,5-6H2
InChIKeyKYBCVZYOOHEJCK-UHFFFAOYSA-N
XLogP3.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol?
The IUPAC name of 2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol (CID 146604296) is 2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol.
What is the SMILES notation for 2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol?
The canonical SMILES for 2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol is O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCC1c1ccccc1F.
What is the InChIKey of 2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol?
The InChIKey is KYBCVZYOOHEJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO3S/c16-9-7-11(17)15(20)14(8-9)23(21,22)19-6-5-13(19)10-3-1-2-4-12(10)18/h1-4,7-8,13,20H,5-6H2.
What are the key properties of 2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol?
2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol has a molecular weight of 376.24 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol is sourced from PubChem (CID 146604296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).