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Chlorthalidone

C14H11ClN2O4S — CID 2732

💊View drug profile → chlortalidone

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl
InChIInChI=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)
InChIKeyJIVPVXMEBJLZRO-UHFFFAOYSA-N
MW338.77 g/mol
LogP0.92
Rot. Bonds2

About Chlorthalidone

Chlorthalidone (PubChem CID 2732) has the molecular formula C14H11ClN2O4S and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameChlorthalidone
PubChem CID2732
Molecular FormulaC14H11ClN2O4S
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC Name2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl
InChIInChI=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)
InChIKeyJIVPVXMEBJLZRO-UHFFFAOYSA-N
XLogP0.92
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Chlortalidone, (R)-
CID 667689
2-chloro-5-((1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
CID 688424
4-((1-(4-Chlorophenyl)-1-hydroxy-3-oxoisoindolin-2-yl)methyl)benzenesulfonamide
CID 51349974
2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
CID 131668410
3-(4-Chlorophenyl)-2,3-dihydro-3-hydroxy-1h-isoindol-1-one
CID 11777357
Chlorthalidone, tetramethyl
CID 91753798
2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide
CID 154163731
Chlorthalidone Me
CID 91749571

Frequently Asked Questions

What is the IUPAC name of Chlorthalidone?
The IUPAC name of Chlorthalidone (CID 2732) is 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide.
What is the SMILES notation for Chlorthalidone?
The canonical SMILES for Chlorthalidone is NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl.
What is the InChIKey of Chlorthalidone?
The InChIKey is JIVPVXMEBJLZRO-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of Chlorthalidone?
Chlorthalidone has a molecular weight of 338.77 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Chlorthalidone is sourced from PubChem (CID 2732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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