Basic information
- CAS
444145-79-3- Standard SMILES
Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)c(C)c1- InChIKey
CDORHVLQFWYBJB-UHFFFAOYSA-N- Molecular formula
- C23H22N2O5S
- Average molar mass
- 438.5 g/mol
Names & identifiers
- Preferred name
- 2-({4-[(Mesitylamino)sulfonyl]anilino}carbonyl)benzoic acid
- IUPAC
- 2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid
- English name
- 2-({4-[(mesitylamino)sulfonyl]anilino}carbonyl)benzoic acid
- Molecular formula
- C23H22N2O5S
- Molecular weight
- 438.5
Names & synonyms
444145-79-32-({4-[(mesitylamino)sulfonyl]anilino}carbonyl)benzoic acid2-((4-(N-Mesitylsulfamoyl)phenyl)carbamoyl)benzoic acid2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoic acid2-({4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl}carbamoyl)benzoic acidOprea1_470351Oprea1_591121AN-329/40869088STK089004AKOS000490047Benzoic acid, 2-[[[4-[[(2,4,6-trimethylphenyl)amino]sulfonyl]phenyl]amino]carbonyl]-
Database identifiers
- CAS
444145-79-3
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 730
Physicochemical properties
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- pka
- 3.4 · 3.40±0.36(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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