4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide

C21H17ClN2O4S — CID 51349974

IUPAC4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClN2O4S/c22-16-9-7-15(8-10-16)21(26)19-4-2-1-3-18(19)20(25)24(21)13-14-5-11-17(12-6-14)29(23,27)28/h1-12,26H,13H2,(H2,23,27,28)
InChIKeyWFQKXJXPGWNYAI-UHFFFAOYSA-N
MW428.90 g/mol
LogP2.84
Rot. Bonds4

About 4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide

4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide (PubChem CID 51349974) has the molecular formula C21H17ClN2O4S and a molecular weight of 428.90 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide
PubChem CID51349974
Molecular FormulaC21H17ClN2O4S
Molecular Weight428.90 g/mol
Exact Mass428.06
IUPAC Name4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClN2O4S/c22-16-9-7-15(8-10-16)21(26)19-4-2-1-3-18(19)20(25)24(21)13-14-5-11-17(12-6-14)29(23,27)28/h1-12,26H,13H2,(H2,23,27,28)
InChIKeyWFQKXJXPGWNYAI-UHFFFAOYSA-N
XLogP2.84
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Chlorthalidone
CID 2732
Chlortalidone, (R)-
CID 667689
4-[4-(4-Chlorophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide
CID 155515980
2-chloro-5-((1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
CID 688424
2-(4-Chlorobenzyl)-3-(4-chlorophenyl)-3-hydroxyisoindolinone
CID 51349563
3-(4-Chlorophenyl)-3-hydroxy-2-phenethylisoindolin-1-one
CID 51349836
3-(4-Chlorophenyl)-2-ethyl-3-hydroxy-1-isoindolinone
CID 395642
3-(4-Chlorophenyl)-3-hydroxy-2-benzylisoindolin-1-one
CID 3608080
3-(4-Chlorophenyl)-3-hydroxy-2-propylisoindolin-1-one
CID 51349561
3-(4-Chlorophenyl)-2-(4-fluorobenzyl)-3-hydroxy-2,3-dihydroisoindol-1-one
CID 51349562
3-(4-Chlorophenyl)-3-hydroxy-2-(4-iodobenzyl)-2,3-dihydroisoindol-1-one
CID 51349699
3-(4-Chlorophenyl)-3-hydroxy-2-(4-methylbenzyl)isoindolin-1-one
CID 51349700

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide (CID 51349974) is 4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide?
The InChIKey is WFQKXJXPGWNYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4S/c22-16-9-7-15(8-10-16)21(26)19-4-2-1-3-18(19)20(25)24(21)13-14-5-11-17(12-6-14)29(23,27)28/h1-12,26H,13H2,(H2,23,27,28).
What are the key properties of 4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide?
4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide has a molecular weight of 428.90 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 51349974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).