1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene

C13H8ClF3O2S — CID 2797356

IUPAC1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H8ClF3O2S/c14-9-5-7-10(8-6-9)20(18,19)12-4-2-1-3-11(12)13(15,16)17/h1-8H
InChIKeyAGYGLZYJRAAXQE-UHFFFAOYSA-N
MW320.72 g/mol
LogP4.19
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene

1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene (PubChem CID 2797356) has the molecular formula C13H8ClF3O2S and a molecular weight of 320.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene
PubChem CID2797356
Molecular FormulaC13H8ClF3O2S
Molecular Weight320.72 g/mol
Exact Mass319.99
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H8ClF3O2S/c14-9-5-7-10(8-6-9)20(18,19)12-4-2-1-3-11(12)13(15,16)17/h1-8H
InChIKeyAGYGLZYJRAAXQE-UHFFFAOYSA-N
XLogP4.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene (CID 2797356) is 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene is O=S(=O)(c1ccc(Cl)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene?
The InChIKey is AGYGLZYJRAAXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O2S/c14-9-5-7-10(8-6-9)20(18,19)12-4-2-1-3-11(12)13(15,16)17/h1-8H.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene?
1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene has a molecular weight of 320.72 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 2797356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).