4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene

C13H7ClF4O2S — CID 15103041

IUPAC4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H7ClF4O2S/c14-8-1-6-12(11(7-8)13(16,17)18)21(19,20)10-4-2-9(15)3-5-10/h1-7H
InChIKeyHIHMNDYGZSDWIK-UHFFFAOYSA-N
MW338.71 g/mol
LogP4.33
Rot. Bonds2

About 4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene

4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene (PubChem CID 15103041) has the molecular formula C13H7ClF4O2S and a molecular weight of 338.71 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene
PubChem CID15103041
Molecular FormulaC13H7ClF4O2S
Molecular Weight338.71 g/mol
Exact Mass337.98
IUPAC Name4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H7ClF4O2S/c14-8-1-6-12(11(7-8)13(16,17)18)21(19,20)10-4-2-9(15)3-5-10/h1-7H
InChIKeyHIHMNDYGZSDWIK-UHFFFAOYSA-N
XLogP4.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.71
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene 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 4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene (CID 15103041) is 4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene is O=S(=O)(c1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene?
The InChIKey is HIHMNDYGZSDWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4O2S/c14-8-1-6-12(11(7-8)13(16,17)18)21(19,20)10-4-2-9(15)3-5-10/h1-7H.
What are the key properties of 4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene?
4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene has a molecular weight of 338.71 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 15103041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).