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4-[(2-Hydroxyhexylamino)methyl]benzenesulfonamide

HCID 69156296
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCC(O)CNCc1ccc(S(N)(=O)=O)cc1
InChIKey
PRTJZLDOSKLUOW-UHFFFAOYSA-N
Molecular formula
C13H22N2O3S
Average molar mass
286.39 g/mol

Names & identifiers

Preferred name
4-[(2-Hydroxyhexylamino)methyl]benzenesulfonamide
IUPAC
4-[(2-hydroxyhexylamino)methyl]benzenesulfonamide

Database identifiers

PubChem CID
69156296

Properties

Computed structural properties

XLogP
1
Topological polar surface area
101 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
19
Formal charge
0
Complexity
332

Related reactions

1 records
New reaction record
HRID 320546 reaction equation
HRID 320546As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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