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Chlorthalidone-d4

CAT: 1596-AR-C02540-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02540-06Size:250 Units
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CAS Number
1794941-44-8
Synonyms
2-chloro-5- (1-hydroxy-3-oxoisoindolin-1-yl) benzenesulfonamide-D4; 2-Chloro-5- (2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl) -benzenesulfonamide-d4; 3-Hydroxy-3-[4-chloro-3-sulfamylphenyl]phthalimidine-d4; Chlorthalidon-d4; Chlorthalidone-d4; Hygroton-d4; Igroton-d4; Phthalamudine-d4; Zambesil-d4; NSC 69200-d4
Molecular Formula
C14H7ClN2O4SD4
Molecular Weight
342.8
API Name
Chlortalidone

Chemical Information

Chlorthalidone-d4
CAS Number1794941-44-8
PubChem CID71314848
IUPAC Name2-chloro-5-(4,5,6,7-tetradeuterio-1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
Molecular FormulaC14H11ClN2O4S
Molecular Weight342.8
XLogP0.9
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity564
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O)[2H])[2H]
InChI
InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/i1D,2D,3D,4D
InChIKey
JIVPVXMEBJLZRO-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of Chlorthalidone-d4
CAS: 1794941-44-8
CID: 71314848
Formula: C14H11ClN2O4S
MW: 342.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight342.8
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass342.0379127
Monoisotopic Mass342.0379127
Topological Polar Surface Area118 Ų
Heavy Atom Count22
Formal Charge0
Complexity564
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes