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Parecoxib Sodium Impurity L

CAT: 1299-RM-P186012-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P186012-01Size:10 mg
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CAS Number
198471-06-6
Synonyms
N- ((4- (5-methyl-3-phenylisoxazol-4-yl) phenyl) sulfonyl) acetamide
Molecular Formula
C18H16N2O4S
Molecular Weight
356.4
Target Alternative Name
Parecoxib
Product Name Synonym
N- ((4- (5-methyl-3-phenylisoxazol-4-yl) phenyl) sulfonyl) acetamide

Chemical Information

N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)acetamide
CAS Number198471-06-6
PubChem CID10833494
IUPAC NameN-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide
Molecular FormulaC18H16N2O4S
Molecular Weight356.4
XLogP2.8
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity560
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)C
InChI
InChI=1S/C18H16N2O4S/c1-12-17(18(19-24-12)15-6-4-3-5-7-15)14-8-10-16(11-9-14)25(22,23)20-13(2)21/h3-11H,1-2H3,(H,20,21)
InChIKey
UMBILIGVYYXBRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)acetamide
CAS: 198471-06-6
CID: 10833494
Formula: C18H16N2O4S
MW: 356.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass356.08307817
Monoisotopic Mass356.08307817
Topological Polar Surface Area97.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity560
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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