Basic information
- CAS
1054383-10-6- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1C(=O)O- InChIKey
HDHNDZVRMBFDCY-UHFFFAOYSA-N- Molecular formula
- C20H17N3O4S
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.09397721
Names & identifiers
- Preferred name
- Benzoic acid, 2-methyl-5-[[[4-(2-phenyldiazenyl)phenyl]amino]sulfonyl]-
- IUPAC
- 2-methyl-5-[(4-phenyldiazenylphenyl)sulfamoyl]benzoic acid
Names & synonyms
DTXSID6010385571054383-10-6Benzoic acid, 2-methyl-5-[[[4-(2-phenyldiazenyl)phenyl]amino]sulfonyl]-
Database identifiers
- CAS
1054383-10-6- PubChem CID
- 25758511
- DTXSID
DTXSID601038557
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 647
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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