2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone

C23H31NO4SSi — CID 10837070

IUPAC2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(C)(C)[Si](C)(C)OCC1Cc2ccccc2N1C(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H31NO4SSi/c1-23(2,3)30(4,5)28-16-19-15-18-11-9-10-14-21(18)24(19)22(25)17-29(26,27)20-12-7-6-8-13-20/h6-14,19H,15-17H2,1-5H3
InChIKeyYTDYOFGRHJCSPN-UHFFFAOYSA-N
MW445.66 g/mol
LogP4.44
Rot. Bonds6

About 2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone

2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 10837070) has the molecular formula C23H31NO4SSi and a molecular weight of 445.66 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID10837070
Molecular FormulaC23H31NO4SSi
Molecular Weight445.66 g/mol
Exact Mass445.17
IUPAC Name2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(C)(C)[Si](C)(C)OCC1Cc2ccccc2N1C(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H31NO4SSi/c1-23(2,3)30(4,5)28-16-19-15-18-11-9-10-14-21(18)24(19)22(25)17-29(26,27)20-12-7-6-8-13-20/h6-14,19H,15-17H2,1-5H3
InChIKeyYTDYOFGRHJCSPN-UHFFFAOYSA-N
XLogP4.44
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.66
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 10521786
2-(benzenesulfonyl)-1-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-diazoethanone
CID 101194770
tert-butyl 2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydroindole-1-carboxylate
CID 85217316
tert-butyl (2S)-2-(ethoxymethyl)-2,3-dihydroindole-1-carboxylate
CID 175968649
tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate
CID 134972074
[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 55752569
1-[(1R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-prop-2-enyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 10937576
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate
CID 134952104
2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxypyrrolidine-1-carboxylic acid
CID 123486303
benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate
CID 46894526
2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile
CID 15525698

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone (CID 10837070) is 2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone is CC(C)(C)[Si](C)(C)OCC1Cc2ccccc2N1C(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is YTDYOFGRHJCSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4SSi/c1-23(2,3)30(4,5)28-16-19-15-18-11-9-10-14-21(18)24(19)22(25)17-29(26,27)20-12-7-6-8-13-20/h6-14,19H,15-17H2,1-5H3.
What are the key properties of 2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone?
2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 445.66 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 10837070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).