Acetosulfone
Basic information
- CAS
80-80-8- Standard SMILES
CC(=O)NS(=O)(=O)c1cc(N)ccc1S(=O)(=O)c1ccc(N)cc1- InChIKey
RAMPGXSXWLFXFU-UHFFFAOYSA-N- Molecular formula
- C14H15N3O5S2
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.04531293
Overview
Sulfadiasulfone is a member of benzenes and a sulfonamide.
Names & identifiers
- Preferred name
- Acetosulfone
- IUPAC
- N-[5-amino-2-(4-aminophenyl)sulfonylphenyl]sulfonylacetamide
- English name
- N-[5-amino-2-(4-aminophenyl)sulfonyl-phenyl]sulfonylacetamide
- Molecular formula
- C14H15N3O5S2
- Molecular weight
- 369.42
Names & synonyms
Acetosulfone80-80-8SulfadiasulfonSULFADIASULFONEAcetosulphoneSulphadiasulphoneN-[5-amino-2-(4-aminophenyl)sulfonylphenyl]sulfonylacetamideN-((5-Amino-2-((4-aminophenyl)sulfonyl)phenyl)sulfonyl)acetamideZT389542XKAcetosulfonUNII-ZT389542XKBenzenesulfonamide, N-acetyl-5-amino-2-((4-aminophenyl)sulfonyl)-
Show more names
N-[5-amino-2-(4-aminophenyl)sulfonyl-phenyl]sulfonylacetamideN-[5-azanyl-2-(4-azanylphenyl)sulfonyl-phenyl]sulfonylethanamideAcetaMide, N-[[5-aMino-2-[(4-aMinophenyl)sulfonyl]phenyl]sulfonyl]-
Benzenesulfonamide, N-acetyl-5-amino-2-[(4-aminophenyl)sulfonyl]-Sulfadiasulfone [INN]N-(6-SULFANILYLMETANILYL)ACETAMIDEBD 1 (*sodium salt*)Promacetin (*sodium salt*)CI 100 (*sodium salt*)IA -107 (*sodium salt*)CHEMBL3306903
Database identifiers
- CAS
80-80-8- PubChem CID
- 31400
- DTXSID
DTXSID70859249- ChEMBL
CHEMBL3306903- ChEBI
CHEBI:135557- UNII
- ZT389542XK
- Nikkaji
- J4.256K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 658
Physicochemical properties
- Melting point
- 285 °C · 285 °C
- Density
- 1.498 · 1.498±0.06 g/cm3(Predicted)
- pka
- 4.67 · 4.67±0.10(Predicted)
- CAS DataBase Reference
- 80 · 80-80-8
- FDA UNII
- 389542 XK · ZT389542XK
Chemistry & industry
Applications
UsesAntibacterial (leprostatic).
Additional notes
DefinitionChEBI: Sulfadiasulfone is a sulfonamide and a member of benzenes.
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Related reactions
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Compound notes
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