4-{[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzenesulfonamide
Basic information
- CAS
5628-20-6- Standard SMILES
NS(=O)(=O)c1ccc(N=Cc2c(O)[nH]c(=O)[nH]c2=O)cc1- InChIKey
DIRUGGPQNUJOKW-UHFFFAOYSA-N- Molecular formula
- C11H10N4O5S
- Average molar mass
- 310.29 g/mol
- Monoisotopic mass
- 310.03719061
Names & identifiers
- Preferred name
- 4-{[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzenesulfonamide
- IUPAC
- 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzenesulfonamide
- English name
- Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-ol, 12-bromo-
- Molecular formula
- C16H15BrO
- Molecular weight
- 303.19
Names & synonyms
4-{[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzenesulfonamide5628-20-6ST50977921NSC524777DTXSID90416550BDBM246581AKOS024352599NSC-524777SR-01000511294SR-01000511294-14-((2,4,6-Trioxo-tetrahydropyrimidin-5(6H)-ylidene)methylamino)benzene-sulfonamide (2f)4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzenesulfonamide
Show more names
Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-ol, 12-bromo-13-BR-TRICYCLO(8.2.2.2(4,7))HEXADECA-1(13),4(16),5,7(15),10(14),11-HEXAEN-5-OL
4-{[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzene-1-sulfonamide4-{[(2,4,6-trioxo-1,3-dihydropyrimidin-5-ylidene)methyl]amino}benzenesulfonami de
Database identifiers
- CAS
5628-20-6- PubChem CID
- 352086
- DTXSID
DTXSID90416550
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 611
Physicochemical properties
- Boiling point
- 415.8 · 415.8±45.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- pka
- 10.18 · 10.18±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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