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N4-Acetylsulfamethoxazole

CAT: 0607-BA1563-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1563-5Size:5 mg
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CAS Number
21312-10-7
Molecular Formula
C12H13N3O4S
Molecular Weight
295.31
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

N(4)-acetylsulfamethoxazole

N-acetylsulfamethoxazole is a sulfonamide compound having a 4-acetamidophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom. It has a role as a drug metabolite and a marine xenobiotic metabolite. It is a sulfonamide and a member of isoxazoles. It is functionally related to a sulfanilamide and a sulfamethoxazole.

CAS Number21312-10-7
PubChem CID65280
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
Molecular FormulaC12H13N3O4S
Molecular Weight295.32
XLogP0.7
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity440
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKey
GXPIUNZCALHVBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N(4)-acetylsulfamethoxazole
CAS: 21312-10-7
CID: 65280
Formula: C12H13N3O4S
MW: 295.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.32
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass295.06267708
Monoisotopic Mass295.06267708
Topological Polar Surface Area110 Ų
Heavy Atom Count20
Formal Charge0
Complexity440
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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Alternative Products

CatalogName
BUP17517-01N4-Acetylsulfamethoxazole
HY-W748688N4-Acetylsulfamethoxazole-13C6
HY-W013266RN4-Acetylsulfamethoxazole (Standard)
HY-W013266S-01N4-Acetylsulfamethoxazole-d4
TMIJ-0297-01Acetylsulfamethoxazole-d4
TRC-A188975-50MGN1-Acetylsulfamethoxazole
TRC-A188977-75MGN1-Acetylsulfamethoxazole-D4
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TNU0360-01N4, N4-Dimethylcytidine
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