N-[2-(Phenylsulfonyl)ethyl]benzeneethanamine, hydrochloride hemihydrate

HCID 131714769
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Basic information

Standard SMILES
Cl.Cl.O.O=S(=O)(CCNCCc1ccccc1)c1ccccc1.O=S(=O)(CCNCCc1ccccc1)c1ccccc1
InChIKey
NENSKOPXBBLTFE-UHFFFAOYSA-N
Molecular formula
C32H42Cl2N2O5S2
Average molar mass
669.7 g/mol

Names & identifiers

Preferred name
N-[2-(Phenylsulfonyl)ethyl]benzeneethanamine, hydrochloride hemihydrate
IUPAC
bis(N-[2-(benzenesulfonyl)ethyl]-2-phenylethanamine);hydrate;dihydrochloride

Names & synonyms

NENSKOPXBBLTFE-UHFFFAOYSA-NN-[2-(Phenylsulfonyl)ethyl]benzeneethanamine, hydrochloride hemihydrate

Database identifiers

PubChem CID
131714769

Properties

Computed structural properties

Topological polar surface area
110 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
7
Rotatable bonds
14
Heavy atoms
43

Related reactions

2 records
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Linked notes

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