dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane

C17H22O5SSi — CID 90224558

IUPACdimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane
SMILESCOc1ccc(S(=O)(=O)Cc2ccc([Si](C)(OC)OC)cc2)cc1
InChIInChI=1S/C17H22O5SSi/c1-20-15-7-9-16(10-8-15)23(18,19)13-14-5-11-17(12-6-14)24(4,21-2)22-3/h5-12H,13H2,1-4H3
InChIKeyPXVOBYQMRMWOAB-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.24
Rot. Bonds7

About dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane

dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane (PubChem CID 90224558) has the molecular formula C17H22O5SSi and a molecular weight of 366.51 g/mol. Its IUPAC name is dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane.

Molecular Properties

Compound Namedimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane
PubChem CID90224558
Molecular FormulaC17H22O5SSi
Molecular Weight366.51 g/mol
Exact Mass366.10
IUPAC Namedimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane
SMILESCOc1ccc(S(=O)(=O)Cc2ccc([Si](C)(OC)OC)cc2)cc1
InChIInChI=1S/C17H22O5SSi/c1-20-15-7-9-16(10-8-15)23(18,19)13-14-5-11-17(12-6-14)24(4,21-2)22-3/h5-12H,13H2,1-4H3
InChIKeyPXVOBYQMRMWOAB-UHFFFAOYSA-N
XLogP2.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[[4-[4-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]phenyl]phenyl]sulfonylmethyl]benzene
CID 160857986
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987
2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 155943131
2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
1-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]phenyl]-3-(4-methoxyphenyl)propan-2-one
CID 161249289
3-fluoro-5-[(4-methoxyphenyl)sulfonylmethyl]aniline
CID 115980924
5-[(4-methoxyphenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63941435
2-[(4-methoxyphenyl)methylsulfonyl]-1-oxidopyridin-1-ium
CID 501086
1-methoxy-4-(trifluoromethylsulfonylmethylsulfonyl)benzene
CID 1482939
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 5307714
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002

Frequently Asked Questions

What is the IUPAC name of dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane?
The IUPAC name of dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane (CID 90224558) is dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane.
What is the SMILES notation for dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane?
The canonical SMILES for dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane is COc1ccc(S(=O)(=O)Cc2ccc([Si](C)(OC)OC)cc2)cc1.
What is the InChIKey of dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane?
The InChIKey is PXVOBYQMRMWOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O5SSi/c1-20-15-7-9-16(10-8-15)23(18,19)13-14-5-11-17(12-6-14)24(4,21-2)22-3/h5-12H,13H2,1-4H3.
What are the key properties of dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane?
dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane has a molecular weight of 366.51 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane is sourced from PubChem (CID 90224558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).