3-chloro-6-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
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Basic information
- CAS
560091-29-4- Standard SMILES
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)sc2c1- InChIKey
YMYUOOYNIZEOBM-UHFFFAOYSA-N- Molecular formula
- C19H14ClN3O3S3
- Average molar mass
- 464 g/mol
- Monoisotopic mass
- 462.9885825
Names & identifiers
- Preferred name
- 3-chloro-6-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
- IUPAC
- 3-chloro-6-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
- English name
- 3-chloro-6-methyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-1-benzothiophene-2-carboxamide
- Molecular formula
- C19H14ClN3O3S3
- Molecular weight
- 463.98
Names & synonyms
3-chloro-6-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamideOprea1_877136STK437698AKOS003290900AK-968/413202483-chloro-6-methyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-1-benzothiophene-2-carboxamide560091-29-4Benzo[b]thiophene-2-carboxamide, 3-chloro-6-methyl-N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-
Database identifiers
- CAS
560091-29-4- PubChem CID
- 2932696
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 697
Physicochemical properties
- Density
- 1.589 · 1.589±0.06 g/cm3(Predicted)
- pka
- 6.97 · 6.97±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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