Acediasulfone sodiumProduct ingredient for Acediasulfone

Name
Acediasulfone sodium
Drug Entry
Acediasulfone

Acediasulfone (INN) is an antimicrobial and antimalarial long-acting prodrug of dapsone.

Accession Number
DBSALT000923
Structure
Synonyms
Not Available
UNII
M45G7BJL52
CAS Number
127-60-6
Weight
Average: 328.32
Monoisotopic: 328.04937236
Chemical Formula
C14H13N2NaO4S
InChI Key
GPNYXGDUKNYCNI-UHFFFAOYSA-M
InChI
InChI=1S/C14H14N2O4S.Na/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18;/h1-8,16H,9,15H2,(H,17,18);/q;+1/p-1
IUPAC Name
sodium 2-{[4-(4-aminobenzenesulfonyl)phenyl]amino}acetate
SMILES
[Na+].NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCC([O-])=O)C=C1
PubChem Compound
23677986
ChemSpider
64687
ChEMBL
CHEMBL2105931
Predicted Properties
PropertyValueSource
Water Solubility0.344 mg/mLALOGPS
logP1.91ALOGPS
logP0.67Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)3.02Chemaxon
pKa (Strongest Basic)2.01Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area112.32 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity91.41 m3·mol-1Chemaxon
Polarizability29.97 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon