4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene

C14H10ClF3O3S — CID 173140895

IUPAC4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF3O3S/c1-22(19,20)13-7-6-9(8-10(13)14(16,17)18)21-12-5-3-2-4-11(12)15/h2-8H,1H3
InChIKeyFUBNBUPISXNYIS-UHFFFAOYSA-N
MW350.75 g/mol
LogP4.55
Rot. Bonds3

About 4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene

4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene (PubChem CID 173140895) has the molecular formula C14H10ClF3O3S and a molecular weight of 350.75 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene
PubChem CID173140895
Molecular FormulaC14H10ClF3O3S
Molecular Weight350.75 g/mol
Exact Mass350.00
IUPAC Name4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF3O3S/c1-22(19,20)13-7-6-9(8-10(13)14(16,17)18)21-12-5-3-2-4-11(12)15/h2-8H,1H3
InChIKeyFUBNBUPISXNYIS-UHFFFAOYSA-N
XLogP4.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenoxy)-1-methylsulfonyl-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

Related Compounds

4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
CID 62703071
2-[2-chloro-5-(2-methylsulfonylphenoxy)phenyl]-3-methyl-5-(trifluoromethyl)quinoxaline
CID 59321603
[2-(trifluoromethyl)phenyl] 2-chloro-5-methylsulfonylbenzenesulfonate
CID 35320348
N'-amino-2-[3-[4-methylsulfonyl-3-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)phenyl]ethanimidamide
CID 143485437
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 56592533
4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide
CID 71626628
1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene
CID 154508539
methyl 6-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfonylphenyl]-3,6-dioxohexanoate
CID 70401796
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
4-isocyanato-1-methylsulfonyl-2-(trifluoromethyl)benzene
CID 169354203
2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide
CID 34168356
4-(2-chloro-5-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43364396

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene (CID 173140895) is 4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene is CS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1C(F)(F)F.
What is the InChIKey of 4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene?
The InChIKey is FUBNBUPISXNYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O3S/c1-22(19,20)13-7-6-9(8-10(13)14(16,17)18)21-12-5-3-2-4-11(12)15/h2-8H,1H3.
What are the key properties of 4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene?
4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene has a molecular weight of 350.75 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-1-methylsulfonyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 173140895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).