1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone

C15H11F3O3S — CID 102266574

IUPAC1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
SMILESO=C(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H11F3O3S/c16-15(17,18)12-6-8-13(9-7-12)22(20,21)10-14(19)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyQYMZEGLLLSBEBD-UHFFFAOYSA-N
MW328.31 g/mol
LogP3.36
Rot. Bonds4

About 1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone

1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone (PubChem CID 102266574) has the molecular formula C15H11F3O3S and a molecular weight of 328.31 g/mol. Its IUPAC name is 1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone.

Molecular Properties

Compound Name1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
PubChem CID102266574
Molecular FormulaC15H11F3O3S
Molecular Weight328.31 g/mol
Exact Mass328.04
IUPAC Name1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
SMILESO=C(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H11F3O3S/c16-15(17,18)12-6-8-13(9-7-12)22(20,21)10-14(19)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyQYMZEGLLLSBEBD-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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Related Compounds

1-phenyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylethanone
CID 175018322
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
2-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
1-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 106584717
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
2-(4-nitrophenyl)sulfonyl-1-phenylethanone
CID 11088058
2-oxo-2-[4-(trifluoromethyl)phenyl]ethanesulfonic acid
CID 115049943
CID 175394574
CID 175394574
1-[3,5-bis(trifluoromethyl)phenyl]-2-(4-nitrophenyl)sulfonylethanone
CID 162413850
2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 53381751
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 58597511

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone?
The IUPAC name of 1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone (CID 102266574) is 1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone.
What is the SMILES notation for 1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone?
The canonical SMILES for 1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone is O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone?
The InChIKey is QYMZEGLLLSBEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3S/c16-15(17,18)12-6-8-13(9-7-12)22(20,21)10-14(19)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone?
1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone 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 1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone is sourced from PubChem (CID 102266574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).