N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide

C21H27ClN2O4SSi — CID 140693070

IUPACN-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide
SMILESC[Si](C)(C)CCOCn1ccc2c(CONS(=O)(=O)c3ccccc3)cc(Cl)cc21
InChIInChI=1S/C21H27ClN2O4SSi/c1-30(2,3)12-11-27-16-24-10-9-20-17(13-18(22)14-21(20)24)15-28-23-29(25,26)19-7-5-4-6-8-19/h4-10,13-14,23H,11-12,15-16H2,1-3H3
InChIKeyZCRRSOGMCGXAMD-UHFFFAOYSA-N
MW467.06 g/mol
LogP5.02
Rot. Bonds10

About N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide

N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide (PubChem CID 140693070) has the molecular formula C21H27ClN2O4SSi and a molecular weight of 467.06 g/mol. Its IUPAC name is N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide
PubChem CID140693070
Molecular FormulaC21H27ClN2O4SSi
Molecular Weight467.06 g/mol
Exact Mass466.11
IUPAC NameN-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide
SMILESC[Si](C)(C)CCOCn1ccc2c(CONS(=O)(=O)c3ccccc3)cc(Cl)cc21
InChIInChI=1S/C21H27ClN2O4SSi/c1-30(2,3)12-11-27-16-24-10-9-20-17(13-18(22)14-21(20)24)15-28-23-29(25,26)19-7-5-4-6-8-19/h4-10,13-14,23H,11-12,15-16H2,1-3H3
InChIKeyZCRRSOGMCGXAMD-UHFFFAOYSA-N
XLogP5.02
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.06
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[6-Chloro-7-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-2-hydroxyacetonitrile
CID 170427851
N-[[1-[3-(4-chlorophenyl)pent-1-yn-3-yl]indol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide
CID 140624956
2-[6-Chloro-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl 4-methylbenzenesulfonate
CID 16203785
1-(6-chloro-1-tosyl-1H-indol-3-yl)-3-(trimethylsilyl)prop-2-yn-1-ol
CID 177925168

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide?
The IUPAC name of N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide (CID 140693070) is N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide.
What is the SMILES notation for N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide?
The canonical SMILES for N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide is C[Si](C)(C)CCOCn1ccc2c(CONS(=O)(=O)c3ccccc3)cc(Cl)cc21.
What is the InChIKey of N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide?
The InChIKey is ZCRRSOGMCGXAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4SSi/c1-30(2,3)12-11-27-16-24-10-9-20-17(13-18(22)14-21(20)24)15-28-23-29(25,26)19-7-5-4-6-8-19/h4-10,13-14,23H,11-12,15-16H2,1-3H3.
What are the key properties of N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide?
N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide has a molecular weight of 467.06 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-1-(2-trimethylsilylethoxymethyl)indol-4-yl]methoxy]benzenesulfonamide is sourced from PubChem (CID 140693070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).