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5-allyloxy-1-benzenesulfonyl-1H-indole

HCID 68549376
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCOc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1
InChIKey
FAILMULMJSESPR-UHFFFAOYSA-N
Molecular formula
C17H15NO3S
Average molar mass
313.4 g/mol
Monoisotopic mass
313.07726451

Names & identifiers

Preferred name
5-allyloxy-1-benzenesulfonyl-1H-indole
IUPAC
1-(benzenesulfonyl)-5-prop-2-enoxyindole

Names & synonyms

SCHEMBL3205915FAILMULMJSESPR-UHFFFAOYSA-N5-allyloxy-1-benzenesulfonyl-1H-indole

Database identifiers

PubChem CID
68549376

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
56.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
479

Related reactions

3 records
New reaction record
HRID 698115 reaction equation
HRID 698115As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 854505 reaction equation
HRID 854505As productuspto-grants-2007_08
HRID 2243167 reaction equation
HRID 2243167As productuspto-grants-2010_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes