Sulfisoxazole diolamineProduct ingredient for Sulfisoxazole

Name
Sulfisoxazole diolamine
Drug Entry
Sulfisoxazole

A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms.

Accession Number
DBSALT001376
Structure
Synonyms
Not Available
UNII
30S4B46J8B
CAS Number
4299-60-9
Weight
Average: 372.44
Monoisotopic: 372.146741063
Chemical Formula
C15H24N4O5S
InChI Key
FEPTXVIRMZIGFY-UHFFFAOYSA-N
InChI
InChI=1S/C11H13N3O3S.C4H11NO2/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;6-3-1-5-2-4-7/h3-6,14H,12H2,1-2H3;5-7H,1-4H2
IUPAC Name
2-[(2-hydroxyethyl)amino]ethan-1-ol; 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide
SMILES
OCCNCCO.CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C
ChemSpider
19112
ChEBI
88263
ChEMBL
CHEMBL1200321
Wikipedia
Sulfafurazole
Predicted Properties
PropertyValueSource
Water Solubility0.313 mg/mLALOGPS
logP1.14ALOGPS
logP0.73Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)5.8Chemaxon
pKa (Strongest Basic)2.17Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area98.22 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity67.92 m3·mol-1Chemaxon
Polarizability26.86 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon