N,N-Bis(2-(ethylthio)ethyl)-4-((methylsulfonyl)amino)benzenesulfonamide
Basic information
- CAS
540518-46-5- Standard SMILES
CCSCCN(CCSCC)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1- InChIKey
HUYZNILDGXTWMZ-UHFFFAOYSA-N- Molecular formula
- C15H26N2O4S4
- Average molar mass
- 426.6 g/mol
- Monoisotopic mass
- 426.07754201
Names & identifiers
- Preferred name
- N,N-Bis(2-(ethylthio)ethyl)-4-((methylsulfonyl)amino)benzenesulfonamide
- IUPAC
- N,N-bis(2-ethylsulfanylethyl)-4-(methanesulfonamido)benzenesulfonamide
Names & synonyms
540518-46-5N,N-Bis[2-(ethylthio)ethyl]-4-[(methylsulfonyl)amino]benzenesulfonamideN,N-Bis(2-(ethylthio)ethyl)-4-((methylsulfonyl)amino)benzenesulfonamideRefChem:358748N,N-Bis[2-(ethylsulfanyl)ethyl]-4-[(methanesulfonyl)amino]benzene-1-sulfonamideDTXSID301151403AKOS022145063
Database identifiers
- CAS
540518-46-5- PubChem CID
- 4099223
- DTXSID
DTXSID301151403
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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