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1-(4-Amino-2-methoxybenzenesulfonyl)-5-chloro-3-(cyclohexylmethyl)-1,3-dihydro-3-(methylamino)indol-2-one

HCID 19076512
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNC1(CC2CCCCC2)C(=O)N(S(=O)(=O)c2ccc(N)cc2OC)c2ccc(Cl)cc21
InChIKey
CBMIBBGCKWVUNN-UHFFFAOYSA-N
Molecular formula
C23H28ClN3O4S
Average molar mass
478 g/mol

Names & identifiers

Preferred name
1-(4-Amino-2-methoxybenzenesulfonyl)-5-chloro-3-(cyclohexylmethyl)-1,3-dihydro-3-(methylamino)indol-2-one
IUPAC
1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-(cyclohexylmethyl)-3-(methylamino)indol-2-one

Names & synonyms

SCHEMBL7472812CBMIBBGCKWVUNN-UHFFFAOYSA-N1-(4-Amino-2-methoxybenzenesulfonyl)-5-chloro-3-(cyclohexylmethyl)-1,3-dihydro-3-(methylamino)indol-2-one

Database identifiers

PubChem CID
19076512

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
110 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
785

Related reactions

3 records
New reaction record
HRID 234525 reaction equation
HRID 234525As productuspto-grants-1997_01
HRID 965572 reaction equation
HRID 965572As productuspto-grants-1998_06
HRID 1207693 reaction equation
HRID 1207693As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes