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N-(1-(5-chloro-2-methoxyphenyl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)benzenamine

HCID 11575438
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(Cl)cc1C(C)Nc1cc(N2CCNCC2)ccc1S(C)(=O)=O
InChIKey
VHVBLPVPURFSPK-UHFFFAOYSA-N
Molecular formula
C20H26ClN3O3S
Average molar mass
424 g/mol

Names & identifiers

Preferred name
N-(1-(5-chloro-2-methoxyphenyl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)benzenamine
IUPAC
N-[1-(5-chloro-2-methoxyphenyl)ethyl]-2-methylsulfonyl-5-piperazin-1-ylaniline

Names & synonyms

SCHEMBL475383VHVBLPVPURFSPK-UHFFFAOYSA-NN-(1-(5-chloro-2-methoxyphenyl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)benzenamine

Database identifiers

PubChem CID
11575438

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
79.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Formal charge
0
Complexity
594

Related reactions

5 records
New reaction record
HRID 1117140 reaction equation
HRID 1117140As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1910549 reaction equation
HRID 1910549As reactantuspto-grants-2013_12
HRID 1910550 reaction equation
HRID 1910550As productuspto-grants-2013_12
HRID 2425991 reaction equation
HRID 2425991As reactantuspto-grants-2011_06
HRID 2425992 reaction equation
HRID 2425992As productuspto-grants-2011_06

Compound notes

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