chempirical

Sulfamethoxazole

C10H11N3O3SCAS 723-46-6253.28 g/mol

Open in Covalent MOL file
NHSOONH2NO
Primary amineSulfonamide

Properties

Molecular formula
C10H11N3O3S
Molar mass
253.28 g/mol
Exact mass
253.0521 Da
Density
1.49 g/mL
Melting point
167 °C
logP
1.37Crippen estimate
Polar surface area
98.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Identifiers

CAS number
723-46-6
SMILES
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
InChIKey
JLKIGFTWXXRPMT-UHFFFAOYSA-N
InChI
InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

20 names · show all
  • Benzenesulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)-
  • Sulfanilamide, N1-(5-methyl-3-isoxazolyl)-
  • 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
  • MS 53
  • Ro 4-2130
  • Gantanol
  • N1-(5-Methyl-3-isoxazolyl)sulfanilamide
  • 5-Methyl-3-sulfanilamidoisoxazole
  • Sinomin
  • Sulfamethalazole
  • 3-Sulfanilamido-5-methylisoxazole
  • Sulfisomezole
  • Sulphamethoxazole
  • Radonil
  • Sulfamethoxazol
  • 4-Amino-N-(5-methyl-3-isoxazolyl)benzensulfonamide
  • NSC 147832
  • STX 608
  • 3-(p-Aminobenzenesulfonamido)-5-methylisoxazole
  • N-(5-Methylisoxazol-3-yl)-4-aminobenzenesulfonamide

Work with Sulfamethoxazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sulfisoxazole127-69-554 % similar Sulfisomidine515-64-054 % similar Sulfamethazine57-68-152 % similar Sodium sulfamethoxazole4563-84-251 % similar Sulfapyridine144-83-250 % similar 4-Amino-N-5-isoxazolylbenzenesulfonamide7758-79-450 % similar Sulfadimethoxine122-11-249 % similar Sulfamonomethoxine1220-83-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Aminomalononitrile tosylate5098-14-6 3-Methyl-1-(3-sulfamidophenyl)-5-pyrazolone89-29-2

Elsewhere

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