[4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane

C74H104F8O20S5Si5 — CID 160839088

IUPAC[4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane
SMILESCO[Si](C)(Cc1ccc(CS(=O)(=O)C(F)(F)F)cc1)OC.CO[Si](C)(Cc1ccc(CS(=O)(=O)CC(F)(F)CC(F)(F)F)cc1)OC.CO[Si](C)(Cc1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)OC.CO[Si](C)(Cc1ccc(CS(=O)(=O)c2ccccc2)cc1)OC.CO[Si](C)(Cc1ccc(CS(C)(=O)=O)cc1)OC
InChIInChI=1S/C18H24O4SSi.C17H22O4SSi.C15H21F5O4SSi.C12H17F3O4SSi.C12H20O4SSi/c1-15-5-11-18(12-6-15)23(19,20)13-16-7-9-17(10-8-16)14-24(4,21-2)22-3;1-20-23(3,21-2)14-16-11-9-15(10-12-16)13-22(18,19)17-7-5-4-6-8-17;1-23-26(3,24-2)9-13-6-4-12(5-7-13)8-25(21,22)11-14(16,17)10-15(18,19)20;1-18-21(3,19-2)9-11-6-4-10(5-7-11)8-20(16,17)12(13,14)15;1-15-18(4,16-2)10-12-7-5-11(6-8-12)9-17(3,13)14/h5-12H,13-14H2,1-4H3;4-12H,13-14H2,1-3H3;4-7H,8-11H2,1-3H3;4-7H,8-9H2,1-3H3;5-8H,9-10H2,1-4H3
InChIKeySHUDFTYHDQWQKC-UHFFFAOYSA-N
MW1766.37 g/mol
LogP14.40
Rot. Bonds35

About [4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane

[4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane (PubChem CID 160839088) has the molecular formula C74H104F8O20S5Si5 and a molecular weight of 1766.37 g/mol. Its IUPAC name is [4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane.

Molecular Properties

Compound Name[4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane
PubChem CID160839088
Molecular FormulaC74H104F8O20S5Si5
Molecular Weight1766.37 g/mol
Exact Mass1764.44
IUPAC Name[4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane
SMILESCO[Si](C)(Cc1ccc(CS(=O)(=O)C(F)(F)F)cc1)OC.CO[Si](C)(Cc1ccc(CS(=O)(=O)CC(F)(F)CC(F)(F)F)cc1)OC.CO[Si](C)(Cc1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)OC.CO[Si](C)(Cc1ccc(CS(=O)(=O)c2ccccc2)cc1)OC.CO[Si](C)(Cc1ccc(CS(C)(=O)=O)cc1)OC
InChIInChI=1S/C18H24O4SSi.C17H22O4SSi.C15H21F5O4SSi.C12H17F3O4SSi.C12H20O4SSi/c1-15-5-11-18(12-6-15)23(19,20)13-16-7-9-17(10-8-16)14-24(4,21-2)22-3;1-20-23(3,21-2)14-16-11-9-15(10-12-16)13-22(18,19)17-7-5-4-6-8-17;1-23-26(3,24-2)9-13-6-4-12(5-7-13)8-25(21,22)11-14(16,17)10-15(18,19)20;1-18-21(3,19-2)9-11-6-4-10(5-7-11)8-20(16,17)12(13,14)15;1-15-18(4,16-2)10-12-7-5-11(6-8-12)9-17(3,13)14/h5-12H,13-14H2,1-4H3;4-12H,13-14H2,1-3H3;4-7H,8-11H2,1-3H3;4-7H,8-9H2,1-3H3;5-8H,9-10H2,1-4H3
InChIKeySHUDFTYHDQWQKC-UHFFFAOYSA-N
XLogP14.40
TPSA263.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001766.37
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze [4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane with MolForge

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Related Compounds

[(4-Methylphenyl)-diphenyl-lambda4-sulfanyl] 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-sulfonate;(triphenyl-lambda4-sulfanyl) 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-sulfonate
CID 139958794
2-[4-(Benzenesulfonylmethyl)phenyl]ethyl-dimethoxy-methylsilane;dimethoxy-methyl-[2-[4-(methylsulfonylmethyl)phenyl]ethyl]silane;dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane;dimethoxy-methyl-[2-[4-(trifluoromethylsulfonylmethyl)phenyl]ethyl]silane
CID 157149994
3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane
CID 158222994
[4-(Benzenesulfonylmethyl)phenyl]-dimethoxy-methylsilane;dimethoxy-methyl-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]silane;dimethoxy-methyl-[4-(methylsulfonylmethyl)phenyl]silane;dimethoxy-methyl-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]silane;dimethoxy-methyl-[4-(trifluoromethylsulfonylmethyl)phenyl]silane
CID 158678943
3-[2-(Benzenesulfonyl)ethylsulfanyl]propyl-diethoxy-methylsilane;dimethoxy-methyl-[3-[2-[4-(methylsulfonylmethyl)phenyl]ethylsulfanyl]propyl]silane;dimethoxy-methyl-[3-[2-[4-(trifluoromethylsulfonylmethyl)phenyl]ethylsulfanyl]propyl]silane
CID 160307535
4-Methylbenzenesulfonyl chloride;1-methyl-4-methylsulfonylbenzene;(4-methylphenyl)sulfonyl 4-methylbenzenesulfonate;methylsulfonylmethane;methylsulfonyl methanesulfonate;[4-(trifluoromethyl)phenyl]sulfonyl 4-methylbenzenesulfonate
CID 160722002
Magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide
CID 161082078
Butane-1-sulfonate;(4-butylphenyl)-diphenylsulfanium;ethanesulfonate;hexane-1-sulfonate;methane;octane-1-sulfonate;sulfur dioxide;pentakis(triphenylsulfanium);1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-methylcyclohexane
CID 161641241
1-[3-(Benzenesulfonyl)prop-1-en-2-ylsulfonyl]-4-methylbenzene;1-[dimethyl(phenyl)silyl]ethanol;1,1,1-trifluoro-4-(4-methylphenyl)sulfonylpent-4-en-2-ol
CID 163673095
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;bis(tris(4-methylphenyl)sulfanium)
CID 173235049
1-[(4-Ethenylphenyl)methylsulfonyl]-4-methylbenzene;triethoxy-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethyl]silane
CID 160289933
Butane-1-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;tris(triphenylsulfanium)
CID 161818133

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane?
The IUPAC name of [4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane (CID 160839088) is [4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane.
What is the SMILES notation for [4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane?
The canonical SMILES for [4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane is CO[Si](C)(Cc1ccc(CS(=O)(=O)C(F)(F)F)cc1)OC.CO[Si](C)(Cc1ccc(CS(=O)(=O)CC(F)(F)CC(F)(F)F)cc1)OC.CO[Si](C)(Cc1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)OC.CO[Si](C)(Cc1ccc(CS(=O)(=O)c2ccccc2)cc1)OC.CO[Si](C)(Cc1ccc(CS(C)(=O)=O)cc1)OC.
What is the InChIKey of [4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane?
The InChIKey is SHUDFTYHDQWQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4SSi.C17H22O4SSi.C15H21F5O4SSi.C12H17F3O4SSi.C12H20O4SSi/c1-15-5-11-18(12-6-15)23(19,20)13-16-7-9-17(10-8-16)14-24(4,21-2)22-3;1-20-23(3,21-2)14-16-11-9-15(10-12-16)13-22(18,19)17-7-5-4-6-8-17;1-23-26(3,24-2)9-13-6-4-12(5-7-13)8-25(21,22)11-14(16,17)10-15(18,19)20;1-18-21(3,19-2)9-11-6-4-10(5-7-11)8-20(16,17)12(13,14)15;1-15-18(4,16-2)10-12-7-5-11(6-8-12)9-17(3,13)14/h5-12H,13-14H2,1-4H3;4-12H,13-14H2,1-3H3;4-7H,8-11H2,1-3H3;4-7H,8-9H2,1-3H3;5-8H,9-10H2,1-4H3.
What are the key properties of [4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane?
[4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane has a molecular weight of 1766.37 g/mol, XLogP of 14.40, 35 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonylmethyl)phenyl]methyl-dimethoxy-methylsilane;dimethoxy-methyl-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane;dimethoxy-methyl-[[4-(methylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]methyl]silane;dimethoxy-methyl-[[4-(trifluoromethylsulfonylmethyl)phenyl]methyl]silane is sourced from PubChem (CID 160839088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).