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Chemical structure of Carbonic anhydrase inhibitor 16

GC71498

Carbonic anhydrase inhibitor 16

Also known as 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide

Carbonic anhydrase inhibitor 16 (compound 1) is a dengue protease inhibitor with inhibitory activity against carbonic anhydrase hCA I and hCA II (Ki: 28·5 nM, 2·2 nM)

ChemicalCAS4479-70-3MW302.31FormulaC14H10N2O4S
CAS number
4479-70-3
Molecular weight
302.31
Formula
C14H10N2O4S
Solubility
DMSO ： 100 mg/mL (330·79 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
OUGLLSMFRGBCIL-UHFFFAOYSA-N
Catalogue number
GC71498
Brand
GLPBIO
Computed properties PubChem CID 3586494 · XLogP 1 · TPSA 106 Ų · H-bond donors 1
XLogP
1
TPSA
106 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21

SMILES C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N

Computed descriptors from PubChem (CID 3586494), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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