Basic information
- CAS
67057-93-6- Standard SMILES
COc1ccc(S(=O)(=O)CC[NH2+]Cc2ccccc2)cc1.[Cl-]- InChIKey
NLKJXMVHBHXFGL-UHFFFAOYSA-N- Molecular formula
- C16H20ClNO3S
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.0852424
Names & identifiers
- Preferred name
- N-Benzyl-2-(4-methoxybenzene-1-sulfonyl)ethan-1-amine--hydrogen chloride (1/1)
- IUPAC
- benzyl-[2-(4-methoxyphenyl)sulfonylethyl]azanium chloride
Names & synonyms
67057-93-6DTXSID40986096N-Benzyl-2-(4-methoxybenzene-1-sulfonyl)ethan-1-amine--hydrogen chloride (1/1)RefChem:1091572DTXCID301413283N-(2-(4-Methoxyphenylsulfonyl)ethyl)benzylamine hydrochlorideBENZYLAMINE, N-(2-(p-METHOXYPHENYLSULFONYL)ETHYL)-, HYDROCHLORIDE
Database identifiers
- CAS
67057-93-6- PubChem CID
- 49339
Properties
Computed structural properties
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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