[2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate

C21H26F3NO5S2Si2 — CID 10437533

IUPAC[2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate
SMILESC[Si](C)(C)c1ccccc1S(=O)(=O)n1c([Si](C)(C)C)c(OS(=O)(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C21H26F3NO5S2Si2/c1-33(2,3)18-14-10-9-13-17(18)31(26,27)25-16-12-8-7-11-15(16)19(20(25)34(4,5)6)30-32(28,29)21(22,23)24/h7-14H,1-6H3
InChIKeyFYPRULGRPOSSAK-UHFFFAOYSA-N
MW549.74 g/mol
LogP4.20
Rot. Bonds6

About [2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate

[2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate (PubChem CID 10437533) has the molecular formula C21H26F3NO5S2Si2 and a molecular weight of 549.74 g/mol. Its IUPAC name is [2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate
PubChem CID10437533
Molecular FormulaC21H26F3NO5S2Si2
Molecular Weight549.74 g/mol
Exact Mass549.07
IUPAC Name[2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate
SMILESC[Si](C)(C)c1ccccc1S(=O)(=O)n1c([Si](C)(C)C)c(OS(=O)(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C21H26F3NO5S2Si2/c1-33(2,3)18-14-10-9-13-17(18)31(26,27)25-16-12-8-7-11-15(16)19(20(25)34(4,5)6)30-32(28,29)21(22,23)24/h7-14H,1-6H3
InChIKeyFYPRULGRPOSSAK-UHFFFAOYSA-N
XLogP4.20
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.74
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

(2-trimethylsilylphenyl) trifluoromethanesulfonate;dihydrofluoride
CID 158690774
cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 174845505
trimethyl-[2-(2-trimethylsilylindol-1-yl)sulfonylphenyl]silane
CID 12733310
(1-benzyl-5-trimethylsilylbenzotriazol-4-yl) trifluoromethanesulfonate
CID 162539863
[1-(benzenesulfonyl)indol-3-yl]-trimethylsilane
CID 12908469
[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
CID 135020579
(3-methyl-4-oxophthalazin-1-yl) trifluoromethanesulfonate
CID 168756713
9-(2-methylphenyl)sulfonylcarbazole
CID 102076870
(2,6-ditert-butylphenyl) trifluoromethanesulfonate
CID 87391356
(10-chloroanthracen-9-yl) trifluoromethanesulfonate
CID 118536165
[2,4-bis(trimethylsilyl)phenyl] trifluoromethanesulfonate
CID 56953950
1-phenyl-3-(trifluoromethylsulfonyl)indole
CID 71715571

Frequently Asked Questions

What is the IUPAC name of [2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate?
The IUPAC name of [2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate (CID 10437533) is [2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate.
What is the SMILES notation for [2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate?
The canonical SMILES for [2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate is C[Si](C)(C)c1ccccc1S(=O)(=O)n1c([Si](C)(C)C)c(OS(=O)(=O)C(F)(F)F)c2ccccc21.
What is the InChIKey of [2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate?
The InChIKey is FYPRULGRPOSSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3NO5S2Si2/c1-33(2,3)18-14-10-9-13-17(18)31(26,27)25-16-12-8-7-11-15(16)19(20(25)34(4,5)6)30-32(28,29)21(22,23)24/h7-14H,1-6H3.
What are the key properties of [2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate?
[2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate has a molecular weight of 549.74 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-trimethylsilyl-1-(2-trimethylsilylphenyl)sulfonylindol-3-yl] trifluoromethanesulfonate is sourced from PubChem (CID 10437533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).