4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol

C14H12ClFO3S — CID 67280254

IUPAC4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol
SMILESCCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2O)c(F)c1
InChIInChI=1S/C14H12ClFO3S/c1-2-20(18,19)10-4-5-11(13(16)8-10)12-7-9(15)3-6-14(12)17/h3-8,17H,2H2,1H3
InChIKeyIXKZUESQEPOKFP-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.65
Rot. Bonds3

About 4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol

4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol (PubChem CID 67280254) has the molecular formula C14H12ClFO3S and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol
PubChem CID67280254
Molecular FormulaC14H12ClFO3S
Molecular Weight314.77 g/mol
Exact Mass314.02
IUPAC Name4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol
SMILESCCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2O)c(F)c1
InChIInChI=1S/C14H12ClFO3S/c1-2-20(18,19)10-4-5-11(13(16)8-10)12-7-9(15)3-6-14(12)17/h3-8,17H,2H2,1H3
InChIKeyIXKZUESQEPOKFP-UHFFFAOYSA-N
XLogP3.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol?
The IUPAC name of 4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol (CID 67280254) is 4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol.
What is the SMILES notation for 4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol?
The canonical SMILES for 4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol is CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2O)c(F)c1.
What is the InChIKey of 4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol?
The InChIKey is IXKZUESQEPOKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO3S/c1-2-20(18,19)10-4-5-11(13(16)8-10)12-7-9(15)3-6-14(12)17/h3-8,17H,2H2,1H3.
What are the key properties of 4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol?
4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol has a molecular weight of 314.77 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol is sourced from PubChem (CID 67280254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).