3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indole

HCID 71240427

Completing data — usually done within a minute

Basic information

CAS
1421252-96-1
Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(C)c3c(B4OC(C)(C)C(C)(C)O4)cccc32)cc1
InChIKey
GZTCCTNJCYDLNX-UHFFFAOYSA-N
Molecular formula
C22H26BNO4S
Average molar mass
411.3 g/mol
Monoisotopic mass
411.16755971

Names & identifiers

Preferred name
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indole
IUPAC
3-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole

Names & synonyms

SCHEMBL14662819GZTCCTNJCYDLNX-UHFFFAOYSA-NDTXSID6011158243-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indole1421252-96-11H-Indole, 3-methyl-1-[(4-methylphenyl)sulfonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Methyl-1-(4-methylbenzene-1-sulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Database identifiers

CAS
1421252-96-1
PubChem CID
71240427
DTXSID
DTXSID601115824

Properties

Computed structural propertiesFilling in

Topological polar surface area
65.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
29

Related reactions

4 records

Compound notes

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