3-((2-((3-Chlorophenyl)amino)-1-naphthyl)azo)-4-hydroxybenzenesulphonamide
Basic information
- CAS
79817-63-3- Standard SMILES
NS(=O)(=O)c1ccc(O)c(N=Nc2c(Nc3cccc(Cl)c3)ccc3ccccc23)c1- InChIKey
KZNQHKXOIQSWSL-UHFFFAOYSA-N- Molecular formula
- C22H17ClN4O3S
- Average molar mass
- 452.9 g/mol
- Monoisotopic mass
- 452.0709893
Names & identifiers
- Preferred name
- 3-((2-((3-Chlorophenyl)amino)-1-naphthyl)azo)-4-hydroxybenzenesulphonamide
- IUPAC
- 3-[[2-(3-chloroanilino)naphthalen-1-yl]diazenyl]-4-hydroxybenzenesulfonamide
- English name
- 3-[[2-[(3-chlorophenyl)amino]-1-naphthyl]azo]-4-hydroxybenzenesulphonamide
- Molecular formula
- C22H17ClN4O3S
- Molecular weight
- 452.91
Names & synonyms
79817-63-3EINECS 279-293-43-((2-((3-Chlorophenyl)amino)-1-naphthyl)azo)-4-hydroxybenzenesulphonamideKZNQHKXOIQSWSL-UHFFFAOYSA-NDTXSID901128523NS000621533-[2-[2-[(3-Chlorophenyl)amino]-1-naphthalenyl]diazenyl]-4-hydroxybenzenesulfonamide3-{[2-(3-Chloroanilino)naphthalen-1-yl]diazenyl}-4-hydroxybenzene-1-sulfonamide3-[[2-[(3-Chlorophenyl)amino]-1-naphtyl]azo]-4-hydroxybenzenesulfonamide3-[[2-[(3-Chlorophenyl)amino]-1-naphthyl]azo]-4-hydroxybenzenesulfonamide3-[[2-[(3-chlorophenyl)amino]-1-naphthyl]azo]-4-hydroxybenzenesulphonamideBenzenesulfonamide, 3-[2-[2-[(3-chlorophenyl)amino]-1-naphthalenyl]diazenyl]-4-hydroxy-
Database identifiers
- CAS
79817-63-3- PubChem CID
- 3018880
- DTXSID
DTXSID901128523- EC Number
- 279-293-4
- Nikkaji
- J320.179A
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 731
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Compound notes
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