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Compound
4-[(2-Hydroxyhexylamino)methyl]benzenesulfonamide
HCID
69156296
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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
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Related reactions
1 records
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HRID
320546
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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