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N-Acetyl Dapsone-d8 (Major)

CAT: 0572-TRC-A168437-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A168437-1MGSize:1 mg
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CAS Number
1215635-13-4
Synonyms
N-[4-[(4-Aminophenyl)sulfonyl]phenyl]-acetamide-D8; Acetyldapsone-D8; MADDS-D8; Monoacetyldapsone-D8
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=S(C1=C([2H])C([2H])=C(NC(C)=O)C([2H])=C1[2H])(C2=C([2H])C([2H])=C(N)C([2H])=C2[2H])=O
Molecular Formula
C14H6D8N2O3S
Molecular Weight
298.39
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Acetyl Dapsone-d8 (Major)
CAS Number1215635-13-4
PubChem CID46779955
IUPAC NameN-[4-(4-amino-2,3,5,6-tetradeuteriophenyl)sulfonyl-2,3,5,6-tetradeuteriophenyl]acetamide
Molecular FormulaC14H14N2O3S
Molecular Weight298.39
XLogP0.9
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity428
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)C2=C(C(=C(C(=C2[2H])[2H])NC(=O)C)[2H])[2H])[2H]
InChI
InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)/i2D,3D,4D,5D,6D,7D,8D,9D
InChIKey
WDOCBIHNYYQINH-NHNJRVLXSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl Dapsone-d8 (Major)
CAS: 1215635-13-4
CID: 46779955
Formula: C14H14N2O3S
MW: 298.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.39
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass298.12272745
Monoisotopic Mass298.12272745
Topological Polar Surface Area97.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity428
Isotope Atom Count8
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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