N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-N,4-dimethylbenzenesulfonamide
Basic information
- CAS
694499-70-2- Standard SMILES
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N(C)S(=O)(=O)c1ccc(C)cc1- InChIKey
HHIZRUCKMDETPC-UHFFFAOYSA-N- Molecular formula
- C21H28N2O5S2
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.14396435
Names & identifiers
- Preferred name
- N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-N,4-dimethylbenzenesulfonamide
- IUPAC
- N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-N,4-dimethylbenzenesulfonamide
Names & synonyms
694499-70-2N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-N,4-dimethylbenzenesulfonamideN-[5-[(Hexahydro-1H-azepin-1-yl)sulfonyl]-2-methoxyphenyl]-N,4-dimethylbenzenesulfonamideSMR000199171MLS000579931MLS003906411CHEMBL1599029DTXSID001123338HMS2535H03N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-N,4-dimethylbenzenesulfonamideAP-845/42710688N-[5-(Azepane-1-sulfonyl)-2-methoxyphenyl]-N,4-dimethylbenzene-1-sulfonamide
Database identifiers
- CAS
694499-70-2- PubChem CID
- 2947720
- DTXSID
DTXSID001123338- ChEMBL
CHEMBL1599029
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 743
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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