[4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium

C104H84F11O10S10+5 — CID 161435901

About [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium

[4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium (PubChem CID 161435901) has the molecular formula C104H84F11O10S10+5 and a molecular weight of 2023.45 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium.

Molecular Properties

• Compound Name: [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium
• PubChem CID: 161435901
• Molecular Formula: C104H84F11O10S10+5
• Molecular Weight: 2023.45 g/mol
• Exact Mass: 2021.31
• IUPAC Name: [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium
• SMILES: CCS(=O)(=O)c1c(F)cc([S+](c2ccccc2)c2ccccc2)cc1F.CS(=O)(=O)c1c(F)cc([S+](c2ccccc2)c2ccccc2)cc1F.CS(=O)(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1F.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1S(C)(=O)=O.O=S(=O)(c1ccccc1)c1ccc([S+](c2ccccc2)c2ccccc2)cc1C(F)(F)F
• InChI: InChI=1S/C25H18F3O2S2.C21H18F3O2S2.C20H17F2O2S2.C19H15F2O2S2.C19H16FO2S2/c26-25(27,28)23-18-21(16-17-24(23)32(29,30)22-14-8-3-9-15-22)31(19-10-4-1-5-11-19)20-12-6-2-7-13-20;1-15-13-18(14-19(21(22,23)24)20(15)28(2,25)26)27(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-2-26(23,24)20-18(21)13-17(14-19(20)22)25(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-25(22,23)19-17(20)12-16(13-18(19)21)24(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-24(21,22)19-13-12-17(14-18(19)20)23(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h1-18H;3-14H,1-2H3;3-14H,2H2,1H3;2-13H,1H3;2-14H,1H3/q5*+1
• InChIKey: VYQJPCCKQHALLH-UHFFFAOYSA-N
• XLogP: 25.79
• TPSA: 170.70 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2023.45
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium?

The IUPAC name of [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium (CID 161435901) is [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium.

What is the SMILES notation for [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium?

The canonical SMILES for [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium is CCS(=O)(=O)c1c(F)cc([S+](c2ccccc2)c2ccccc2)cc1F.CS(=O)(=O)c1c(F)cc([S+](c2ccccc2)c2ccccc2)cc1F.CS(=O)(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1F.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1S(C)(=O)=O.O=S(=O)(c1ccccc1)c1ccc([S+](c2ccccc2)c2ccccc2)cc1C(F)(F)F.

What is the InChIKey of [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium?

The InChIKey is VYQJPCCKQHALLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3O2S2.C21H18F3O2S2.C20H17F2O2S2.C19H15F2O2S2.C19H16FO2S2/c26-25(27,28)23-18-21(16-17-24(23)32(29,30)22-14-8-3-9-15-22)31(19-10-4-1-5-11-19)20-12-6-2-7-13-20;1-15-13-18(14-19(21(22,23)24)20(15)28(2,25)26)27(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-2-26(23,24)20-18(21)13-17(14-19(20)22)25(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-25(22,23)19-17(20)12-16(13-18(19)21)24(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-24(21,22)19-13-12-17(14-18(19)20)23(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h1-18H;3-14H,1-2H3;3-14H,2H2,1H3;2-13H,1H3;2-14H,1H3/q5*+1.

What are the key properties of [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium?

[4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium has a molecular weight of 2023.45 g/mol, XLogP of 25.79, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(benzenesulfonyl)-3-(trifluoromethyl)phenyl]-diphenylsulfanium;(3,5-difluoro-4-methylsulfonylphenyl)-diphenylsulfanium;(4-ethylsulfonyl-3,5-difluorophenyl)-diphenylsulfanium;(3-fluoro-4-methylsulfonylphenyl)-diphenylsulfanium;[3-methyl-4-methylsulfonyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium is sourced from PubChem (CID 161435901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).