Basic information
- CAS
431983-29-8- Standard SMILES
Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)c(C)c1- InChIKey
KOPSCJHUODMQGC-UHFFFAOYSA-N- Molecular formula
- C24H21ClN2O3S2
- Average molar mass
- 485 g/mol
- Monoisotopic mass
- 484.0682126
Names & identifiers
- Preferred name
- 3-chloro-N-{4-[(mesitylamino)sulfonyl]phenyl}-1-benzothiophene-2-carboxamide
- IUPAC
- 3-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
- English name
- 3-chloro-N-{4-[(mesitylamino)sulfonyl]phenyl}-1-benzothiophene-2-carboxamide
- Molecular formula
- C24H21ClN2O3S2
- Molecular weight
- 485.02
Names & synonyms
3-chloro-N-{4-[(mesitylamino)sulfonyl]phenyl}-1-benzothiophene-2-carboxamide3-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide3-chloro-N-{4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamideChemDiv1_010538Oprea1_277204Oprea1_724760HMS616O22STK033659AKOS000490572431983-29-8AB00118999-01AN-329/40869111
Show more names
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[4-[[(2,4,6-trimethylphenyl)amino]sulfonyl]phenyl]-
SR-01000497608SR-01000497608-1
Database identifiers
- CAS
431983-29-8- PubChem CID
- 1012750
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 754
Physicochemical properties
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- pka
- 9.8 · 9.80±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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