4-Amino-N-5-isoxazolylbenzenesulfonamide

C₉H₉N₃O₃SCAS 7758-79-4239.25 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₉H₉N₃O₃S
Molar mass: 239.25 g/mol
Exact mass: 239.0365 Da
logP: 1.06Crippen estimate
Polar surface area: 98.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Identifiers

CAS number

7758-79-4

SMILES

Nc1ccc(S(=O)(=O)Nc2ccno2)cc1

InChIKey

CVLLLVDWOLWLPK-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N3O3S/c10-7-1-3-8(4-2-7)16(13,14)12-9-5-6-11-15-9/h1-6,12H,10H2

Weigh it out

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

Names and synonyms

2 names

Benzenesulfonamide, 4-amino-N-5-isoxazolyl-
Sulfanilamide, N1-5-isoxazolyl-

Work with 4-Amino-N-5-isoxazolylbenzenesulfonamide

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

4,4′-Diaminobenzenesulfonanilide16803-97-754 % similar Sulfadiazine68-35-954 % similar Sulfapyridine144-83-251 % similar Sulfathiazole72-14-050 % similar Sulfisoxazole127-69-549 % similar Sulfamerazine127-79-747 % similar Sulfamethazine57-68-147 % similar 4-Amino-N-ethylbenzenesulfonamide1709-53-146 % similar

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

Elsewhere

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