Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c([N+](=O)[O-])c1- InChIKey
RDTYRMMBLYMRPW-UHFFFAOYSA-N- Molecular formula
- C16H13N3O4S
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- 4-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide
- IUPAC
- 4-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide
Names & synonyms
MLS001125503SMR0006686134-Methyl-2-nitro-N-quinolin-8-yl-benzenesulfonamide4-METHYL-2-NITRO-N~1~-(8-QUINOLYL)-1-BENZENESULFONAMIDECBKinase1_008024CBKinase1_0204244-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamideCHEMBL256042cid_973504SCHEMBL11973667BDBM58569RDTYRMMBLYMRPW-UHFFFAOYSA-N
Show more names
AKOS040826286EBC-551128NCGC00161697-01NCGC00161697-024-methyl-2-nitro-N-(8-quinolyl)benzenesulfonamide4-methyl-2-nitro-N-8-quinolinylbenzenesulfonamideSR-010002825854-methyl-2-nitro-N-(8-quinolinyl)benzenesulfonamide
Database identifiers
- PubChem CID
- 973504
- ChEMBL
CHEMBL256042
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 557
Related reactions
3 records
Compound notes
Loading…