[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

C69H94F8O20S5Si5 — CID 158678943

IUPAC[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
SMILESCO[Si](C)(OC)c1ccc(CS(=O)(=O)C(F)(F)F)cc1.CO[Si](C)(OC)c1ccc(CS(=O)(=O)CC(F)(F)CC(F)(F)F)cc1.CO[Si](C)(OC)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1.CO[Si](C)(OC)c1ccc(CS(=O)(=O)c2ccccc2)cc1.CO[Si](C)(OC)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C17H22O4SSi.C16H20O4SSi.C14H19F5O4SSi.C11H15F3O4SSi.C11H18O4SSi/c1-14-5-9-16(10-6-14)22(18,19)13-15-7-11-17(12-8-15)23(4,20-2)21-3;1-19-22(3,20-2)16-11-9-14(10-12-16)13-21(17,18)15-7-5-4-6-8-15;1-22-25(3,23-2)12-6-4-11(5-7-12)8-24(20,21)10-13(15,16)9-14(17,18)19;1-17-20(3,18-2)10-6-4-9(5-7-10)8-19(15,16)11(12,13)14;1-14-17(4,15-2)11-7-5-10(6-8-11)9-16(3,12)13/h5-12H,13H2,1-4H3;4-12H,13H2,1-3H3;4-7H,8-10H2,1-3H3;4-7H,8H2,1-3H3;5-8H,9H2,1-4H3
InChIKeyIEWIYMDXDNHTHO-UHFFFAOYSA-N
MW1696.24 g/mol
LogP10.03
Rot. Bonds30

About [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

[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 (PubChem CID 158678943) has the molecular formula C69H94F8O20S5Si5 and a molecular weight of 1696.24 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158678943
Molecular FormulaC69H94F8O20S5Si5
Molecular Weight1696.24 g/mol
Exact Mass1694.37
IUPAC Name[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
SMILESCO[Si](C)(OC)c1ccc(CS(=O)(=O)C(F)(F)F)cc1.CO[Si](C)(OC)c1ccc(CS(=O)(=O)CC(F)(F)CC(F)(F)F)cc1.CO[Si](C)(OC)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1.CO[Si](C)(OC)c1ccc(CS(=O)(=O)c2ccccc2)cc1.CO[Si](C)(OC)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C17H22O4SSi.C16H20O4SSi.C14H19F5O4SSi.C11H15F3O4SSi.C11H18O4SSi/c1-14-5-9-16(10-6-14)22(18,19)13-15-7-11-17(12-8-15)23(4,20-2)21-3;1-19-22(3,20-2)16-11-9-14(10-12-16)13-21(17,18)15-7-5-4-6-8-15;1-22-25(3,23-2)12-6-4-11(5-7-12)8-24(20,21)10-13(15,16)9-14(17,18)19;1-17-20(3,18-2)10-6-4-9(5-7-10)8-19(15,16)11(12,13)14;1-14-17(4,15-2)11-7-5-10(6-8-11)9-16(3,12)13/h5-12H,13H2,1-4H3;4-12H,13H2,1-3H3;4-7H,8-10H2,1-3H3;4-7H,8H2,1-3H3;5-8H,9H2,1-4H3
InChIKeyIEWIYMDXDNHTHO-UHFFFAOYSA-N
XLogP10.03
TPSA263.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.24
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[4-[4-[[4-Bis(4-methylphenyl)sulfoniophenyl]methyl]phenyl]iodoniophenyl]methyl]phenyl]-bis(4-methylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21964894
[4-[4-[4-[4-Bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]iodoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21965112
[(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
Bis(1,2,2,2-tetrafluoroethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium)
CID 158862262
1-(1,1-Difluoroethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene;4-(3,4-difluorophenyl)sulfonyl-1,2-difluorobenzene;1-(3,4-difluorophenyl)sulfonyl-2,3,4,5,6-pentafluorobenzene;1-fluoro-3-(3-fluorophenyl)sulfonylbenzene;2-fluoro-4-(3-fluorophenyl)sulfonyl-1-methylbenzene;2-fluoro-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylbenzene;1-(3-fluorophenyl)sulfonyl-3-(trifluoromethyl)benzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene;1,2,4,5-tetrafluoro-3-(3-fluorophenyl)sulfonyl-6-methylbenzene
CID 159726825
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
[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
Magnesium;benzenesulfinylbenzene;1-fluoro-2-(trifluoromethyl)benzene-4-ide;[4-fluoro-3-(trifluoromethyl)phenyl]-diphenylsulfanium;trifluoromethanesulfonate;trimethylsilyl trifluoromethanesulfonate;bromide
CID 161082078
Bis((4-tert-butylphenyl)-diphenylsulfanium);bis(1,2,2,2-tetrafluoroethanesulfonate)
CID 161327607

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CO[Si](C)(OC)c1ccc(CS(=O)(=O)C(F)(F)F)cc1.CO[Si](C)(OC)c1ccc(CS(=O)(=O)CC(F)(F)CC(F)(F)F)cc1.CO[Si](C)(OC)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1.CO[Si](C)(OC)c1ccc(CS(=O)(=O)c2ccccc2)cc1.CO[Si](C)(OC)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of [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?
The InChIKey is IEWIYMDXDNHTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4SSi.C16H20O4SSi.C14H19F5O4SSi.C11H15F3O4SSi.C11H18O4SSi/c1-14-5-9-16(10-6-14)22(18,19)13-15-7-11-17(12-8-15)23(4,20-2)21-3;1-19-22(3,20-2)16-11-9-14(10-12-16)13-21(17,18)15-7-5-4-6-8-15;1-22-25(3,23-2)12-6-4-11(5-7-12)8-24(20,21)10-13(15,16)9-14(17,18)19;1-17-20(3,18-2)10-6-4-9(5-7-10)8-19(15,16)11(12,13)14;1-14-17(4,15-2)11-7-5-10(6-8-11)9-16(3,12)13/h5-12H,13H2,1-4H3;4-12H,13H2,1-3H3;4-7H,8-10H2,1-3H3;4-7H,8H2,1-3H3;5-8H,9H2,1-4H3.
What are the key properties of [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?
[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 has a molecular weight of 1696.24 g/mol, XLogP of 10.03, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158678943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).