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Chemical structure of Phthalylsulfathiazole

GC33490

Phthalylsulfathiazole

Also listed as Phthalylsulfathiazole (N4-Phthalylsulfathiazole)

Phthalylsulfathiazole (N4-Phthalylsulfathiazole) is a kind of sulfonamides used as an antibacterial drug

ChemicalCAS85-73-4MW403.43FormulaC17H13N3O5S2
CAS number
85-73-4
Molecular weight
403.43
Formula
C17H13N3O5S2
Solubility
DMSO ： ≥ 40 mg/mL (99·15 mM)
InChIKey
PBMSWVPMRUJMPE-UHFFFAOYSA-N
Catalogue number
GC33490
Brand
GLPBIO
Computed properties PubChem CID 4806 · XLogP 1.1 · TPSA 162 Ų · H-bond donors 3
XLogP
1.1
TPSA
162 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
27

SMILES C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O

Computed descriptors from PubChem (CID 4806), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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