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Sulfadimethoxine EP Impurity B

CAT: 1299-RM-S212602-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S212602-01Size:10 mg
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CAS Number
555-25-9
Synonyms
N- (4- (N- (2,6-dimethoxypyrimidin-4-yl) sulfamoyl) phenyl) acetamide
Molecular Formula
C14H16N4O5S
Molecular Weight
352.37
Target Alternative Name
Sulfadimethoxine
Product Name Synonym
N- (4- (N- (2,6-dimethoxypyrimidin-4-yl) sulfamoyl) phenyl) acetamide

Chemical Information

N4-Acetylsulfadimethoxine
CAS Number555-25-9
PubChem CID473359
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
Molecular FormulaC14H16N4O5S
Molecular Weight352.37
XLogP1.5
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity516
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC
InChI
InChI=1S/C14H16N4O5S/c1-9(19)15-10-4-6-11(7-5-10)24(20,21)18-12-8-13(22-2)17-14(16-12)23-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)
InChIKey
WIYOSEJTAADVPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N4-Acetylsulfadimethoxine
CAS: 555-25-9
CID: 473359
Formula: C14H16N4O5S
MW: 352.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight352.37
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass352.08414080
Monoisotopic Mass352.08414080
Topological Polar Surface Area128 Ų
Heavy Atom Count24
Formal Charge0
Complexity516
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