chempirical

Sulfisoxazole

C11H13N3O3SCAS 127-69-5267.30 g/mol

Open in Covalent MOL file
NOHNSOONH2
Primary amineSulfonamide

Properties

Molecular formula
C11H13N3O3S
Molar mass
267.30 g/mol
Exact mass
267.0678 Da
Density
1.4 g/mL
Melting point
194 °C
pKa
1.5, 5
Water solubility
300 mg/L (37 °C)
logP
1.67Crippen estimate
Polar surface area
98.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
127-69-5
SMILES
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
InChIKey
NHUHCSRWZMLRLA-UHFFFAOYSA-N
InChI
InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3

Weigh it out

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

Names and synonyms

54 names · show all
  • NSC 13120
  • Sulsoxin
  • Benzenesulfonamide, 4-amino-N-(3,4-dimethyl-5-isoxazolyl)-
  • Sulfanilamide, N1-(3,4-dimethyl-5-isoxazolyl)-
  • 4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide
  • Alphazole
  • 5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole
  • 5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole
  • 5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole
  • Chemouag
  • N1-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide
  • 3,4-Dimethyl-5-sulfanilamidoisoxazole
  • Entusul
  • Gantrisin
  • Gantrosan
  • Neazolin
  • Roxosul tablets
  • Soxisol
  • Stansin
  • Sulbio
  • Sulfadimethylisoxazole
  • Sulfafurazol
  • Sulfafurazole
  • Sulfaisoxazole
  • 5-Sulfanilamido-3,4-dimethylisoxazole
  • Sulfazin
  • Sulfisoxazol
  • Sulphafurazole
  • Unisulf
  • Thiasin
  • Amidoxal
  • Neoxazol
  • 3,4-Dimethyl-5-sulfonamidoisoxazole
  • Dorsulfan warthausen
  • Uritrisin
  • Gantrisona
  • Pancid
  • Isoxamin
  • Sulfagan
  • Norilgan-S
  • Sulfasol
  • Sulfisoxazole dialamine
  • Sulphisoxazole
  • Gantrizin
  • 4-Amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
  • Sosol
  • Sulfalar
  • Sulfoxol
  • Soxomide
  • NSC 33807
  • NSC 38588
  • NSC 683536
  • N-(3,4-Dimethylisoxazol-5-yl)-4-aminobenzenesulfonamide
  • Soxazole

Work with Sulfisoxazole

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

Sulfamethoxazole723-46-654 % similar 4-Amino-N-5-isoxazolylbenzenesulfonamide7758-79-449 % similar Sulfamethazine57-68-148 % similar N-(4-Aminophenyl)-4-methylbenzenesulfonamide6380-08-148 % similar 4,4′-Diaminobenzenesulfonanilide16803-97-748 % similar Sulfamethizole144-82-146 % similar Sulfamerazine127-79-745 % similar Sulfamethoxypyridazine80-35-345 % similar

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

Elsewhere

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