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Sulfadoxin

CAT: 0127-OR1030279-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1030279-02Size:25 g
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CAS Number
2447-57-6
Synonyms
4-amino-N- (5,6-dimethoxypyrimidin-4-yl) benzenesulfonamide
Purity
98%
Smiles
COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N

Chemical Information

Sulfadoxine

Sulfadoxine is a sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. In combination with the antiprotozoal pyrimethamine (CHEBI:8673) it is used as an antimalarial. It has a role as an antibacterial drug and an antimalarial. It is a sulfonamide and a member of pyrimidines.

CAS Number2447-57-6
PubChem CID17134
IUPAC Name4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Molecular FormulaC12H14N4O4S
Molecular Weight310.33
XLogP0.7
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity419
SMILES
COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey
PJSFRIWCGOHTNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfadoxine
CAS: 2447-57-6
CID: 17134
Formula: C12H14N4O4S
MW: 310.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.33
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass310.07357611
Monoisotopic Mass310.07357611
Topological Polar Surface Area125 Ų
Heavy Atom Count21
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BUP18228Sulfadoxine

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