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N-(3-Hydroxy-4-methoxybenzenesulphonyl)-1,2-dihydroindole

HCID 19689638
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1O
InChIKey
SJOOIJWQMUNVGM-UHFFFAOYSA-N
Molecular formula
C15H15NO4S
Average molar mass
305.4 g/mol

Names & identifiers

Preferred name
N-(3-Hydroxy-4-methoxybenzenesulphonyl)-1,2-dihydroindole
IUPAC
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenol

Names & synonyms

SCHEMBL7394091SJOOIJWQMUNVGM-UHFFFAOYSA-NN-(3-hydroxy-4-methoxybenzenesulphonyl)- 1,2-dihydroindoleN-(3-Hydroxy-4-methoxybenzenesulphonyl)-1,2-dihydroindole

Database identifiers

PubChem CID
19689638

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
75.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
461

Related reactions

4 records
New reaction record
HRID 2141 reaction equation
HRID 2141As productuspto-grants-1998_03
HRID 2143 reaction equation
HRID 2143As reactantuspto-grants-1998_03
HRID 1543740 reaction equation
HRID 1543740As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2338044 reaction equation
HRID 2338044As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes