2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

C14H11ClN2O4S — CID 2732

💊View drug profile → chlortalidone
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 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide (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 Name2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
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
({6-[2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonylaminocarbonyl]-naphthalen-2-yl}-difluoro-methyl)-phosphonic acid
CID 44332907
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
2-fluoro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
CID 177714338
Chlorthalidone, tetramethyl
CID 91753798
2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide
CID 154163731
6-Chloro-1-hydroxy-3-oxo-1,2-dihydroisoindole-5-sulfonamide
CID 84223525
2-Chloro-5-(1-ethyl-3-oxo-1-isoindolinyl)benzenesulfonamide
CID 129881267
Chlorthalidone Me
CID 91749571

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide (CID 2732) is 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide is NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
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 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide 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 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide is sourced from PubChem (CID 2732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).