Basic information
- Standard SMILES
CS(=O)(=O)Nc1ccc(N2CCCNCC2)cc1NS(=O)(=O)c1ccccc1- InChIKey
AQLAROZMZVXBRJ-UHFFFAOYSA-N- Molecular formula
- C18H24N4O4S2
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.12389761
Names & identifiers
- Preferred name
- N-{5-(1,4-diazepan-1-yl)-2-[(methylsulfonyl)amino]phenyl}benzenesulfonamide
- IUPAC
- N-[5-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]benzenesulfonamide
Names & synonyms
SCHEMBL3617766AQLAROZMZVXBRJ-UHFFFAOYSA-NN-{5-(1,4-diazepan-1-yl)-2-[(methylsulfonyl)amino]phenyl}benzenesulfonamide
Database identifiers
- PubChem CID
- 22272525
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 696
Related reactions
5 records
Compound notes
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