4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride

C14H23ClO5SSi — CID 87221820

IUPAC4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride
SMILESCCO[Si](CC)(OCC)OCCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H23ClO5SSi/c1-4-18-22(6-3,19-5-2)20-12-11-13-7-9-14(10-8-13)21(15,16)17/h7-10H,4-6,11-12H2,1-3H3
InChIKeyYVCYHMFGEYTQCH-UHFFFAOYSA-N
MW366.94 g/mol
LogP3.20
Rot. Bonds10

About 4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride

4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride (PubChem CID 87221820) has the molecular formula C14H23ClO5SSi and a molecular weight of 366.94 g/mol. Its IUPAC name is 4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride
PubChem CID87221820
Molecular FormulaC14H23ClO5SSi
Molecular Weight366.94 g/mol
Exact Mass366.07
IUPAC Name4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride
SMILESCCO[Si](CC)(OCC)OCCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H23ClO5SSi/c1-4-18-22(6-3,19-5-2)20-12-11-13-7-9-14(10-8-13)21(15,16)17/h7-10H,4-6,11-12H2,1-3H3
InChIKeyYVCYHMFGEYTQCH-UHFFFAOYSA-N
XLogP3.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.94
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride 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

2-(4-chlorosulfonylphenyl)ethyl acetate
CID 84710851
4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride
CID 43110134
[diethoxy(2-phenylethoxy)silyl]methanethiol
CID 141358316
1-(2-ethylperoxyethyl)-4-ethylsulfonylbenzene
CID 87085296
4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride
CID 124528667
ethyl N-[4-(4-chlorosulfonylphenyl)butan-2-yl]carbamate
CID 114551818
4-[3-[ethyl(propan-2-yl)amino]-3-oxopropyl]benzenesulfonyl chloride
CID 65371650
ethoxy-ethyl-dipropoxysilane
CID 525754
butan-2-yl 3-(4-chlorosulfonylphenyl)propanoate
CID 65396929
ethyl (2S)-2-amino-3-(4-chlorosulfonylphenyl)propanoate
CID 167724205
4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride
CID 124528662
3-methoxypropyl 3-(4-chlorosulfonylphenyl)propanoate
CID 65397522

Frequently Asked Questions

What is the IUPAC name of 4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride?
The IUPAC name of 4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride (CID 87221820) is 4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride is CCO[Si](CC)(OCC)OCCc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride?
The InChIKey is YVCYHMFGEYTQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO5SSi/c1-4-18-22(6-3,19-5-2)20-12-11-13-7-9-14(10-8-13)21(15,16)17/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride?
4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride has a molecular weight of 366.94 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride is sourced from PubChem (CID 87221820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).