Basic information
- CAS
139047-48-6- Standard SMILES
CN(CCCOc1ccc(NS(C)(=O)=O)cc1)Cc1ccc2cc(NS(C)(=O)=O)ccc2n1- InChIKey
HIIKPWFGIGTCBP-UHFFFAOYSA-N- Molecular formula
- C22H28N4O5S2
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.15011235
Overview
structure given in first source
Names & identifiers
- Preferred name
- Way 125971
- IUPAC
- N-[4-[3-[[6-(methanesulfonamido)quinolin-2-yl]methyl-methylamino]propoxy]phenyl]methanesulfonamide
Names & synonyms
Way 125971139047-48-6Way-125,971DTXSID80160878RefChem:194781DTXCID2083369N-[4-[3-[[6-(methanesulfonamido)quinolin-2-yl]methyl-methylamino]propoxy]phenyl]methanesulfonamideN-(2-((Methyl-3-(4-((methylsulfonyl)amino)phenoxy)propyl)amino)methyl)-6-quinolinylmethanesulfonamideCHEMBL109351orb1694877SCHEMBL9736383AKOS040754401
Show more names
N-(4-(3-(methyl((6-(methylsulfonamido)quinolin-2-yl)methyl)amino)propoxy)phenyl)methanesulfonamideHY-120685T35111N-(2-{[{3-[4-(Methanesulfonamido)phenoxy]propyl}(methyl)amino]methyl}quinolin-6-yl)methanesulfonamide
Database identifiers
- CAS
139047-48-6- PubChem CID
- 197399
- DTXSID
DTXSID80160878- ChEMBL
CHEMBL109351
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 804
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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