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Chlortalidone Impurity 1

CAT: 1596-AR-C02554-06Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02554-06Size:25 Units
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CAS Number
345930-31-6
Synonyms
2- (4-chloro-3-sulfamoylbenzoyl) benzamide
Molecular Formula
C14H11ClN2O4S
Molecular Weight
338.76
API Name
Chlortalidone

Chemical Information

Chlortalidone Impurity 10
CAS Number345930-31-6
PubChem CID12850058
IUPAC Name2-(4-chloro-3-sulfamoylbenzoyl)benzamide
Molecular FormulaC14H11ClN2O4S
Molecular Weight338.8
XLogP1.3
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity546
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C(=O)N
InChI
InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(17,20)21)13(18)9-3-1-2-4-10(9)14(16)19/h1-7H,(H2,16,19)(H2,17,20,21)
InChIKey
QMDAJMIPLVXIDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlortalidone Impurity 10
CAS: 345930-31-6
CID: 12850058
Formula: C14H11ClN2O4S
MW: 338.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.8
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass338.0128057
Monoisotopic Mass338.0128057
Topological Polar Surface Area129 Ų
Heavy Atom Count22
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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