N-[2-(dimethylamino)ethyl]-4-(ethylamino)-3-nitrobenzenesulfonamide
Basic information
- CAS
852222-68-5- Standard SMILES
CCNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-]- InChIKey
RROQODCMZSASRX-UHFFFAOYSA-N- Molecular formula
- C12H20N4O4S
- Average molar mass
- 316.38 g/mol
- Monoisotopic mass
- 316.12052631
Names & identifiers
- Preferred name
- N-[2-(dimethylamino)ethyl]-4-(ethylamino)-3-nitrobenzenesulfonamide
- IUPAC
- N-[2-(dimethylamino)ethyl]-4-(ethylamino)-3-nitrobenzenesulfonamide
Names & synonyms
MLS000774377CHEMBL1471176DTXSID701333033HMS2766K19N-[2-(dimethylamino)ethyl]-4-(ethylamino)-3-nitrobenzenesulfonamideAKOS008923028852222-68-5SMR000365433SR-01000066363SR-01000066363-1Z31224140N-[2-(dimethylamino)ethyl]-4-(ethylamino)-3-nitrobenzene-1-sulfonamide
Database identifiers
- CAS
852222-68-5- PubChem CID
- 4841397
- DTXSID
DTXSID701333033- ChEMBL
CHEMBL1471176
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
Solubility42.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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