| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2014 | 0 | Yes |
Popular Name: Sulfisoxazole Sulfisoxazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1021066-10-3 , 127-69-5 , [127-69-5]
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
4-amino-N-[(5Z)-3,4-dimethyl-2,5-dihydro-1,2-oxazol-5-ylidene]benzene-1-sulfonamide
benzenesulfonamide, 4-amino-N-(3,4-dimethyl-5-isoxazolyl)-
INN); Sulfisoxazole Diolamine (FDA
Sulfafurazole, Gantrisin Pediatric
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.99 | -0.55 | -51.77 | 2 | 6 | -1 | 100 | 266.302 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 0.1 | -13.76 | 3 | 6 | 0 | 98 | 267.31 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 3.034 | Bitter DB |
| ALOGPS_SOLUBILITY | 3.13e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Target | Antifection | Selleck Chemicals |
| biological_use | Antiseptic | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Folate antagonist | IBScreen Bioactives IBScreen Bioactives |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| biological_use | Low acute toxicity | IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| biological_use | Protozoacide | IBScreen Bioactives |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| mechanism | Restrict folate synthesis through competitive antagonism of PABA | IBScreen Bioactives |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| biological_use | Short-acting sulfonamide used for urinary tract infections. | IBScreen Bioactives |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.