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Acedapsone

CAT: 0926-AAA07746-01Size: 0.25 gDry Ice: NoHazardous: No
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CAT#:0926-AAA07746-01Size:0.25 g
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CAS Number
77-46-3
MDL Number
MFCD00057689
Smiles
CC (=O) NC1=CC=C (C=C1) S (=O) (=O) C2=CC=C (C=C2) NC (=O) C
Molecular Formula
C16H16N2O4S
Molecular Weight
332.4 g/mol
Controlled
No

Chemical Information

Acedapsone

Acedapsone is a sulfone that is dapsone in which both of the amino groups been acetylation. An antimicrobial drug, it also has antimalarial activity. It has a role as an antimicrobial drug and an antimalarial. It is an anilide, a secondary carboxamide, a member of acetamides and a sulfone. It is functionally related to a dapsone.

CAS Number77-46-3
PubChem CID6477
IUPAC NameN-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide
Molecular FormulaC16H16N2O4S
Molecular Weight332.4
XLogP1.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity483
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C16H16N2O4S/c1-11(19)17-13-3-7-15(8-4-13)23(21,22)16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
AMTPYFGPPVFBBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acedapsone
CAS: 77-46-3
CID: 6477
Formula: C16H16N2O4S
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass332.08307817
Monoisotopic Mass332.08307817
Topological Polar Surface Area101 Ų
Heavy Atom Count23
Formal Charge0
Complexity483
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

Alternative Products

CatalogName
GTR19198309-01Acedapsone
HY-W699159-01Acedapsone-d8
RM-A311001-01Acedapsone Impurity 1
RM-A311002-01Acedapsone Impurity 2

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