4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide

C11H17BrO4SSi — CID 139944643

IUPAC4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide
SMILESCO[Si](C)(CCc1ccc(S(=O)(=O)Br)cc1)OC
InChIInChI=1S/C11H17BrO4SSi/c1-15-18(3,16-2)9-8-10-4-6-11(7-5-10)17(12,13)14/h4-7H,8-9H2,1-3H3
InChIKeyCWTAGQOXKMMCAB-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.68
Rot. Bonds6

About 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide

4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide (PubChem CID 139944643) has the molecular formula C11H17BrO4SSi and a molecular weight of 353.31 g/mol. Its IUPAC name is 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide.

Molecular Properties

Compound Name4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide
PubChem CID139944643
Molecular FormulaC11H17BrO4SSi
Molecular Weight353.31 g/mol
Exact Mass351.98
IUPAC Name4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide
SMILESCO[Si](C)(CCc1ccc(S(=O)(=O)Br)cc1)OC
InChIInChI=1S/C11H17BrO4SSi/c1-15-18(3,16-2)9-8-10-4-6-11(7-5-10)17(12,13)14/h4-7H,8-9H2,1-3H3
InChIKeyCWTAGQOXKMMCAB-UHFFFAOYSA-N
XLogP2.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane
CID 157471412
dimethoxy-methyl-[2-[4-(2,2,4,4,4-pentafluorobutylsulfonylmethyl)phenyl]ethyl]silane
CID 90224564
N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine
CID 20829624
2-[2-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
CID 66883166
4-[2-[hydroxy(dimethoxy)silyl]ethyl]benzenesulfonate;scandium(3+);bis(trifluoromethanesulfonate)
CID 101426349
2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
CID 67331069
[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2-methoxyethoxy)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 153300671
4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride
CID 43110134
4-(2-trihydroxysilylethyl)benzenesulfonic acid
CID 10890738
trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane
CID 90226967
propyl 4-(2-bromoethyl)benzenesulfonate
CID 121223069

Frequently Asked Questions

What is the IUPAC name of 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide?
The IUPAC name of 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide (CID 139944643) is 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide.
What is the SMILES notation for 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide?
The canonical SMILES for 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide is CO[Si](C)(CCc1ccc(S(=O)(=O)Br)cc1)OC.
What is the InChIKey of 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide?
The InChIKey is CWTAGQOXKMMCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO4SSi/c1-15-18(3,16-2)9-8-10-4-6-11(7-5-10)17(12,13)14/h4-7H,8-9H2,1-3H3.
What are the key properties of 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide?
4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide has a molecular weight of 353.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide is sourced from PubChem (CID 139944643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).