Sulfadoxine Impurity 8

CAT: 1299-RM-S211508-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S211508-01Size:10 mg

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CAS Number

1346604-08-7

Synonyms

4-amino-N- (5-methoxy-6-oxo-3,6-dihydropyrimidin-4-yl) benzenesulfonamide

Molecular Formula

C11H12N4O4S

Molecular Weight

296.3

Target Alternative Name

Sulfadoxine

Chemical Information

4-amino-N-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide

CAS Number	1346604-08-7
PubChem CID	136219911
IUPAC Name	4-amino-N-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide
Molecular Formula	C11H12N4O4S
Molecular Weight	296.30
XLogP	-0.5
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	541

SMILES

COC1=C(N=CNC1=O)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C11H12N4O4S/c1-19-9-10(13-6-14-11(9)16)15-20(17,18)8-4-2-7(12)3-5-8/h2-6H,12H2,1H3,(H2,13,14,15,16)

InChIKey

ZGBQDFTZEPDSMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1346604-08-7

CID: 136219911

Formula: C11H12N4O4S

MW: 296.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.30
XLogP3	-0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	296.05792605
Monoisotopic Mass	296.05792605
Topological Polar Surface Area	131 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	541
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B1841-10000	Sulfadoxine