3-chloro-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)-1-benzothiophene-2-carboxamide
Basic information
- CAS
303035-34-9- Standard SMILES
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)no1- InChIKey
DMNRENXFDBASKG-UHFFFAOYSA-N- Molecular formula
- C19H14ClN3O4S2
- Average molar mass
- 447.9 g/mol
- Monoisotopic mass
- 447.011426
Names & identifiers
- Preferred name
- 3-chloro-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)-1-benzothiophene-2-carboxamide
- IUPAC
- 3-chloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
- English name
- 3-chloro-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide
- Molecular formula
- C19H14ClN3O4S2
- Molecular weight
- 447.92
Names & synonyms
3-chloro-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)-1-benzothiophene-2-carboxamide3-chloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide3-chloro-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamideOprea1_372797Oprea1_764626STK078965AKOS000490278AK-968/12971252Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-
Database identifiers
- CAS
303035-34-9- PubChem CID
- 1010403
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 696
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Compound notes
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