1,3-Di-(4(N-(4,6-dimethyl-2-pyrimidinyl))sulfamoylphenyl)triazene
Basic information
- CAS
110505-56-1- Standard SMILES
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=NNc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2)n1- InChIKey
AYNXSDVZZFLENJ-UHFFFAOYSA-N- Molecular formula
- C24H25N9O4S2
- Average molar mass
- 567.6 g/mol
- Monoisotopic mass
- 567.14709266
Overview
reaction product of sodium sulfadimidine and nitrite; structure given in first source
Names & identifiers
- Preferred name
- 1,3-Di-(4(N-(4,6-dimethyl-2-pyrimidinyl))sulfamoylphenyl)triazene
- IUPAC
- N-(4,6-dimethylpyrimidin-2-yl)-4-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]iminohydrazinyl]benzenesulfonamide
- English name
- 1,3-di-(4(N-(4,6-dimethyl-2-pyrimidinyl))sulfamoylphenyl)triazene
- Molecular formula
- C24H25N9O4S2
- Molecular weight
- 567.64
Names & synonyms
Ddpspt110505-56-11,3-di-(4(N-(4,6-dimethyl-2-pyrimidinyl))sulfamoylphenyl)triazeneDTXSID60149267RefChem:72563DTXCID0071758Benzenesulfonamide, 4,4'-(1-triazene-1,3-diyl)bis(N-(4,6-dimethyl-2-pyrimidinyl)-4,4'-[(1E)-Triaz-1-ene-1,3-diyl]bis[N-(4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide]Benzenesulfonamide, 4,4'-(1-triazene-1,3-diyl)bis[N-(4,6-dimethyl-2-pyrimidinyl)- (9CI)
Database identifiers
- CAS
110505-56-1- PubChem CID
- 130641
- DTXSID
DTXSID60149267
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 997
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