Basic information
- CAS
5819-70-5- Standard SMILES
CCCCCCCCOc1ccc(N)cc1CS(=O)(=O)CCO- InChIKey
KDRZMXOBFMAAIJ-UHFFFAOYSA-N- Molecular formula
- C17H29NO4S
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.18172958
Names & identifiers
- Preferred name
- Ethanol, 2-((5-amino-2-(octyloxy)benzyl)sulfonyl)-
- IUPAC
- 2-[(5-amino-2-octoxyphenyl)methylsulfonyl]ethanol
Names & synonyms
5819-70-5Ethanol, 2-((5-amino-2-(octyloxy)benzyl)sulfonyl)-M & B 6406BRN 27637102-((5-Amino-2-(octyloxy)benzyl)sulfonyl)ethanolDTXSID20206926RefChem:340797DTXCID501294172-[(5-amino-2-octoxyphenyl)methylsulfonyl]ethanol2-((5-Amino-2-(octyloxy)benzyl)sulfonyl)ethan-1-olstarbld0016398orb1986070
Show more names
AKOS040751728T316902-{[5-Amino-2-(octyloxy)phenyl]methanesulfonyl}ethan-1-ol
Database identifiers
- CAS
5819-70-5- PubChem CID
- 201345
- DTXSID
DTXSID20206926
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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