2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone

C15H11F3O3S — CID 11232699

IUPAC2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3O3S/c16-15(17,18)12-8-6-11(7-9-12)14(19)10-22(20,21)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyPDXUGNITDTZZFN-UHFFFAOYSA-N
MW328.31 g/mol
LogP3.36
Rot. Bonds4

About 2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone

2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 11232699) has the molecular formula C15H11F3O3S and a molecular weight of 328.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID11232699
Molecular FormulaC15H11F3O3S
Molecular Weight328.31 g/mol
Exact Mass328.04
IUPAC Name2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3O3S/c16-15(17,18)12-8-6-11(7-9-12)14(19)10-22(20,21)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyPDXUGNITDTZZFN-UHFFFAOYSA-N
XLogP3.36
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone (CID 11232699) is 2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone is O=C(CS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is PDXUGNITDTZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3S/c16-15(17,18)12-8-6-11(7-9-12)14(19)10-22(20,21)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 328.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 11232699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).