2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol

C14H12ClFO3S — CID 13460266

IUPAC2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol
SMILESO=S(=O)(c1ccccc1)C(F)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFO3S/c15-11-8-6-10(7-9-11)13(17)14(16)20(18,19)12-4-2-1-3-5-12/h1-9,13-14,17H
InChIKeyYBGVAUUACXWJFL-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.14
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol

2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol (PubChem CID 13460266) has the molecular formula C14H12ClFO3S and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol
PubChem CID13460266
Molecular FormulaC14H12ClFO3S
Molecular Weight314.77 g/mol
Exact Mass314.02
IUPAC Name2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol
SMILESO=S(=O)(c1ccccc1)C(F)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFO3S/c15-11-8-6-10(7-9-11)13(17)14(16)20(18,19)12-4-2-1-3-5-12/h1-9,13-14,17H
InChIKeyYBGVAUUACXWJFL-UHFFFAOYSA-N
XLogP3.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol (CID 13460266) is 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol is O=S(=O)(c1ccccc1)C(F)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol?
The InChIKey is YBGVAUUACXWJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO3S/c15-11-8-6-10(7-9-11)13(17)14(16)20(18,19)12-4-2-1-3-5-12/h1-9,13-14,17H.
What are the key properties of 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol?
2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol has a molecular weight of 314.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-fluoroethanol is sourced from PubChem (CID 13460266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).