Basic information
- Standard SMILES
CC(=O)c1cc2c(cc1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2- InChIKey
RKTQDYUICJAAKQ-UHFFFAOYSA-N- Molecular formula
- C18H14ClN3O7S2
- Average molar mass
- 483.9 g/mol
Names & identifiers
- Preferred name
- N-(4-chloro-3-methyl-5-isoxazolyl)2-{[2-acetyl-4,5-(methylenedioxy)phenyl]aminocarbonyl}thiophene-3-sulfonamide
- IUPAC
- N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
Names & synonyms
CHEMBL283535SCHEMBL4631821RKTQDYUICJAAKQ-UHFFFAOYSA-NBDBM50058115L0156503-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (6-acetyl-benzo[1,3]dioxol-5-yl)-amideN-(4-chloro-3-methyl-5- isoxazolyl)2-{[2-acetyl-4,5-(methylenedioxy)phenyl]aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazoiyl)2-{[2-acetyl-4,5-(methyienedioxy)phenyl]-aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl) 2-{[2-acetyl-4,5-(methylenedioxy)phenyl]aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)2-{[2-acetyl-4, 5-(methylenedioxy)-phenyl]aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)2-{[2-acetyl-4,5-(methylenedioxy)phenyl]aminocarbonyl}thiophene-3-sulfonamide
Database identifiers
- PubChem CID
- 10696210
- ChEMBL
CHEMBL283535
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 810
Related reactions
20 records
Linked notes
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