Basic information
- CAS
7101-92-0- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1- InChIKey
NUNOQWFQZCHJDF-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.07759887
Names & identifiers
- Preferred name
- 4-Methyl-N-3-quinolinylbenzenesulfonamide
- IUPAC
- 4-methyl-N-quinolin-3-ylbenzenesulfonamide
Names & synonyms
7101-92-04-Methyl-N-3-quinolinylbenzenesulfonamideRefChem:2945124-methyl-N-quinolin-3-ylbenzenesulfonamide4-methyl-N-(quinolin-3-yl)benzenesulfonamide4-Methyl-N-(3-quinolinyl)benzenesulfonamideMLS-0090809.00013-tosylaminoquinoline4-Methyl-N-quinolin-3-yl-benzenesulfonamide4-methyl-N-(quinolin-3-yl)benzene-1-sulfonamideOprea1_712648Oprea1_871009
Show more names
CBDivE_004710MLS000714768cid_588682CHEMBL1299349BDBM45792NUNOQWFQZCHJDF-UHFFFAOYSA-NDTXSID801271747HMS2670J18
Database identifiers
- CAS
7101-92-0- PubChem CID
- 588682
- DTXSID
DTXSID801271747- ChEMBL
CHEMBL1299349- Nikkaji
- J3.579.761K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Experimental & physicochemical properties
Solubility>44.8 [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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