Basic information
- CAS
51866-92-3- Standard SMILES
Cc1ccc(S(=O)(=O)NCCCCC(NS(=O)(=O)c2ccc(C)cc2)C(=O)O)cc1- InChIKey
XIOSNBSZDBUSND-UHFFFAOYSA-N- Molecular formula
- C20H26N2O6S2
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.1232289
Names & identifiers
- Preferred name
- 2,6-Bis[(4-methylphenyl)sulfonylamino]hexanoic acid
- IUPAC
- 2,6-bis[(4-methylphenyl)sulfonylamino]hexanoic acid
Names & synonyms
NSC53870NSC-53870AKOS00300074551866-92-3
Database identifiers
- CAS
51866-92-3- PubChem CID
- 243726
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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