Sulfadoxine Impurity 5

CAT: 1299-RM-S211505-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S211505-01Size:10 mg

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CAS Number

7749-17-9

Synonyms

4-amino-N- (6- (dimethylamino) -5-methoxypyrimidin-4-yl) benzenesulfonamide

Molecular Formula

C13H17N5O3S

Molecular Weight

323.37

Target Alternative Name

Sulfadoxine

Chemical Information

Sulfadoxine impurity 15

CAS Number	7749-17-9
PubChem CID	175675485
IUPAC Name	4-amino-N-[6-(dimethylamino)-5-methoxypyrimidin-4-yl]benzenesulfonamide
Molecular Formula	C13H17N5O3S
Molecular Weight	323.37
XLogP	1
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	445

SMILES

CN(C)C1=NC=NC(=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C13H17N5O3S/c1-18(2)13-11(21-3)12(15-8-16-13)17-22(19,20)10-6-4-9(14)5-7-10/h4-8H,14H2,1-3H3,(H,15,16,17)

InChIKey

JMLMLOGXVSVFAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7749-17-9

CID: 175675485

Formula: C13H17N5O3S

MW: 323.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	323.37
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	323.10521059
Monoisotopic Mass	323.10521059
Topological Polar Surface Area	119 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	445
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
RM-S211506-01	Sulfadoxine Impurity 6
RM-S211502-01	Sulfadoxine Impurity 2
RM-S211508-01	Sulfadoxine Impurity 8
RM-S211507-01	Sulfadoxine Impurity 7
RM-S211503-01	Sulfadoxine Impurity 3
RM-S211501-01	Sulfadoxine Impurity 1
RM-S211509-01	Sulfadoxine Impurity 9
RM-S211500-01	Sulfadoxine
RM-G271005-01	Gc376 Impurity 5; Nirmatrelvir Impurity
RM-A463005-01	Andrographolide Impurity 5

Catalog	Name
B1841-10000	Sulfadoxine