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Sulfamethoxypyridazine

CAT: 1299-RM-S620900-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S620900-01Size:10 mg
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CAS Number
80-35-3
Synonyms
N1- (6-Methoxypyridazin-3-yl) sulfanilamide
Molecular Formula
C11H12N4O3S
Molecular Weight
280.3
Target Alternative Name
Sulfamethoxypyridazine
Product Name Synonym
N1- (6-Methoxypyridazin-3-yl) sulfanilamide

Chemical Information

Sulfamethoxypyridazine

Sulfamethoxypyridazine is a sulfonamide consisting of pyridazine having a methoxy substituent at the 6-position and a 4-aminobenzenesulfonamido group at the 3-position. It has a role as an antiinfective agent, an EC 2.5.1.15 (dihydropteroate synthase) inhibitor and a drug allergen. It is a sulfonamide, a member of pyridazines and a sulfonamide antibiotic. It is functionally related to a sulfanilamide.

CAS Number80-35-3
PubChem CID5330
IUPAC Name4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
Molecular FormulaC11H12N4O3S
Molecular Weight280.31
XLogP0.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity376
SMILES
COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
InChIKey
VLYWMPOKSSWJAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfamethoxypyridazine
CAS: 80-35-3
CID: 5330
Formula: C11H12N4O3S
MW: 280.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight280.31
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass280.06301143
Monoisotopic Mass280.06301143
Topological Polar Surface Area116 Ų
Heavy Atom Count19
Formal Charge0
Complexity376
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