4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate
Basic information
- CAS
111880-39-8- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1ccc1ncccc12.Cl- InChIKey
BEDBWCXHOAPHPW-UHFFFAOYSA-N- Molecular formula
- C24H21ClN4O3S
- Average molar mass
- 481 g/mol
- Monoisotopic mass
- 480.1022894
Names & identifiers
- Preferred name
- 4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate
- IUPAC
- N-[4-(benzo[b][1,7]phenanthrolin-7-ylamino)-3-methoxyphenyl]methanesulfonamide;hydrochloride
Names & synonyms
4-(7-Benzo(b)-1,8-phenanthrolinylamino)-3-methoxymethanesulfonanilide hydrochloride monohydrate111880-39-8DTXSID00149761N-{4-[(Benzo[b][1,7]phenanthrolin-7-yl)amino]-3-methoxyphenyl}methanesulfonamide--hydrogen chloride (1/1)
Database identifiers
- CAS
111880-39-8- PubChem CID
- 183373
- DTXSID
DTXSID00149761
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 744
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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