1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene

C14H10ClF3O2S — CID 2743788

IUPAC1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3O2S/c15-12-5-7-13(8-6-12)21(19,20)9-10-1-3-11(4-2-10)14(16,17)18/h1-8H,9H2
InChIKeyDKLNDTXBHFYXRA-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.33
Rot. Bonds3

About 1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene

1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene (PubChem CID 2743788) has the molecular formula C14H10ClF3O2S and a molecular weight of 334.75 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene
PubChem CID2743788
Molecular FormulaC14H10ClF3O2S
Molecular Weight334.75 g/mol
Exact Mass334.00
IUPAC Name1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3O2S/c15-12-5-7-13(8-6-12)21(19,20)9-10-1-3-11(4-2-10)14(16,17)18/h1-8H,9H2
InChIKeyDKLNDTXBHFYXRA-UHFFFAOYSA-N
XLogP4.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chlorophenyl)sulfonylmethyl]-4-(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 1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene (CID 2743788) is 1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene?
The InChIKey is DKLNDTXBHFYXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2S/c15-12-5-7-13(8-6-12)21(19,20)9-10-1-3-11(4-2-10)14(16,17)18/h1-8H,9H2.
What are the key properties of 1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene?
1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene has a molecular weight of 334.75 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)sulfonylmethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 2743788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).