2-Ethoxy-5-(4-ethyl-1-piperazinylsulfonyl)benzamidine

HCID 10132062

Notes Reactions

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Basic information

Standard SMILES: CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=N)N
InChIKey: DBKWJUUUXAKQQJ-UHFFFAOYSA-N
Molecular formula: C15H24N4O3S
Average molar mass: 340.4 g/mol
Monoisotopic mass: 340.15691181

Names & identifiers

Preferred name: 2-Ethoxy-5-(4-ethyl-1-piperazinylsulfonyl)benzamidine
IUPAC: 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide

Names & synonyms

SCHEMBL1230603DBKWJUUUXAKQQJ-UHFFFAOYSA-N383427-93-82-ethoxy-5-(4-ethyl-1-piperazinylsulfonyl)benzamidine2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-benzamidine

Database identifiers

PubChem CID: 10132062

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 108 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 497

Related reactions

4 records

New reaction record

HRID 299790As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 433650As productuspto-grants-2003_12

HRID 892228As productuspto-grants-2006_02

HRID 2155026As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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