1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate

C21H26NO5S2Si- — CID 59262456

IUPAC1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate
SMILESCC(C)(C)[Si](C)(C)OCc1ccc2cc(S(=O)[O-])n(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C21H27NO5S2Si/c1-21(2,3)30(4,5)27-15-16-11-12-17-14-20(28(23)24)22(19(17)13-16)29(25,26)18-9-7-6-8-10-18/h6-14H,15H2,1-5H3,(H,23,24)/p-1
InChIKeyMSZYRYXLGWVYFS-UHFFFAOYSA-M
MW464.66 g/mol
LogP4.64
Rot. Bonds6

About 1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate

1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate (PubChem CID 59262456) has the molecular formula C21H26NO5S2Si- and a molecular weight of 464.66 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate
PubChem CID59262456
Molecular FormulaC21H26NO5S2Si-
Molecular Weight464.66 g/mol
Exact Mass464.10
IUPAC Name1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate
SMILESCC(C)(C)[Si](C)(C)OCc1ccc2cc(S(=O)[O-])n(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C21H27NO5S2Si/c1-21(2,3)30(4,5)27-15-16-11-12-17-14-20(28(23)24)22(19(17)13-16)29(25,26)18-9-7-6-8-10-18/h6-14H,15H2,1-5H3,(H,23,24)/p-1
InChIKeyMSZYRYXLGWVYFS-UHFFFAOYSA-M
XLogP4.64
TPSA88.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.66
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate 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

tert-butyl-dimethyl-[4-[1-(4-methylphenyl)sulfonylindol-2-yl]butoxy]silane
CID 102159661
1-(benzenesulfonyl)-6-ethylindole-2-carbaldehyde
CID 166815364
tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide
CID 162121800
[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane
CID 59831708
N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
CID 138983524
(S)-N-[(S)-[1-(benzenesulfonyl)indol-2-yl]-[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]methyl]-2-methylpropane-2-sulfinamide
CID 172994788
N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 123566473
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanamine
CID 22049979
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
tert-butyl-[(4-ethyl-3-methylphenyl)methoxy]-dimethylsilane
CID 167684834
2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
CID 101060892

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate?
The IUPAC name of 1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate (CID 59262456) is 1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate.
What is the SMILES notation for 1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate?
The canonical SMILES for 1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate is CC(C)(C)[Si](C)(C)OCc1ccc2cc(S(=O)[O-])n(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate?
The InChIKey is MSZYRYXLGWVYFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H27NO5S2Si/c1-21(2,3)30(4,5)27-15-16-11-12-17-14-20(28(23)24)22(19(17)13-16)29(25,26)18-9-7-6-8-10-18/h6-14H,15H2,1-5H3,(H,23,24)/p-1.
What are the key properties of 1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate?
1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate has a molecular weight of 464.66 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-2-sulfinate is sourced from PubChem (CID 59262456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).