Basic information
- CAS
6941-61-3- Standard SMILES
Cc1cc(C)cc(NS(=O)(=O)CCCS(=O)(=O)Nc2cc(C)cc(C)c2)c1- InChIKey
MMCCWJAGBNLHCM-UHFFFAOYSA-N- Molecular formula
- C19H26N2O4S2
- Average molar mass
- 410.6 g/mol
- Monoisotopic mass
- 410.13339966
Names & identifiers
- Preferred name
- N~1~,N~3~-Bis(3,5-dimethylphenyl)propane-1,3-disulfonamide
- IUPAC
- N,N'-bis(3,5-dimethylphenyl)propane-1,3-disulfonamide
Names & synonyms
MLS0026082736941-61-3NSC40789CHEMBL1877041DTXSID60989246HMS3078L10N~1~,N~3~-Bis(3,5-dimethylphenyl)propane-1,3-disulfonamideNSC-40789SMR001527024
Database identifiers
- CAS
6941-61-3- PubChem CID
- 237372
- DTXSID
DTXSID60989246- ChEMBL
CHEMBL1877041
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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