3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane

C12H19IO5SSi — CID 172597149

IUPAC3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane
SMILESCO[Si](CCCS(=O)(=O)c1ccccc1)(OC)OCI
InChIInChI=1S/C12H19IO5SSi/c1-16-20(17-2,18-11-13)10-6-9-19(14,15)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyZZBPSODTFMLASZ-UHFFFAOYSA-N
MW430.34 g/mol
LogP2.49
Rot. Bonds9

About 3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane

3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane (PubChem CID 172597149) has the molecular formula C12H19IO5SSi and a molecular weight of 430.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane.

Molecular Properties

Compound Name3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane
PubChem CID172597149
Molecular FormulaC12H19IO5SSi
Molecular Weight430.34 g/mol
Exact Mass429.98
IUPAC Name3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane
SMILESCO[Si](CCCS(=O)(=O)c1ccccc1)(OC)OCI
InChIInChI=1S/C12H19IO5SSi/c1-16-20(17-2,18-11-13)10-6-9-19(14,15)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyZZBPSODTFMLASZ-UHFFFAOYSA-N
XLogP2.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
4-bromobutylsulfonylbenzene
CID 11482789
1-methoxy-4-(3-phenylpropylsulfonyl)benzene
CID 54270820
2-fluoroethylsulfonylbenzene
CID 66796542
3-[2-(benzenesulfonyl)ethylsulfanyl]propyl-diethoxy-methylsilane
CID 90224582
6-(benzenesulfonyl)hexane-1-sulfonic acid
CID 123592456
2-(benzenesulfonyl)ethoxy-dimethylazanium
CID 173223937
trimethoxy(12-phenyldodecyl)silane
CID 54325157
4-amino-N-[3-(benzenesulfonyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120590590
5-(benzenesulfonyl)pentanal
CID 14120174
N-[3-(benzenesulfonyl)propyl]-N-butylbutan-1-amine
CID 71408649
1-[3-(benzenesulfonyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110974115

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane?
The IUPAC name of 3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane (CID 172597149) is 3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane.
What is the SMILES notation for 3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane?
The canonical SMILES for 3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane is CO[Si](CCCS(=O)(=O)c1ccccc1)(OC)OCI.
What is the InChIKey of 3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane?
The InChIKey is ZZBPSODTFMLASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IO5SSi/c1-16-20(17-2,18-11-13)10-6-9-19(14,15)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane?
3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane has a molecular weight of 430.34 g/mol, XLogP of 2.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane is sourced from PubChem (CID 172597149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).