1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one

C21H14ClNO5S — CID 142635493

IUPAC1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one
SMILESO=c1cc(-c2ccccc2Cl)n(S(=O)(=O)c2ccccc2)c2cc(O)c(O)cc12
InChIInChI=1S/C21H14ClNO5S/c22-16-9-5-4-8-14(16)17-11-19(24)15-10-20(25)21(26)12-18(15)23(17)29(27,28)13-6-2-1-3-7-13/h1-12,25-26H
InChIKeyILANYBBHJUANMH-UHFFFAOYSA-N
MW427.87 g/mol
LogP3.97
Rot. Bonds3

About 1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one

1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one (PubChem CID 142635493) has the molecular formula C21H14ClNO5S and a molecular weight of 427.87 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one
PubChem CID142635493
Molecular FormulaC21H14ClNO5S
Molecular Weight427.87 g/mol
Exact Mass427.03
IUPAC Name1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one
SMILESO=c1cc(-c2ccccc2Cl)n(S(=O)(=O)c2ccccc2)c2cc(O)c(O)cc12
InChIInChI=1S/C21H14ClNO5S/c22-16-9-5-4-8-14(16)17-11-19(24)15-10-20(25)21(26)12-18(15)23(17)29(27,28)13-6-2-1-3-7-13/h1-12,25-26H
InChIKeyILANYBBHJUANMH-UHFFFAOYSA-N
XLogP3.97
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol
CID 5328691
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 139694978
1-(benzenesulfonyl)-2-(2-methylphenyl)indole
CID 173032867
1-(benzenesulfonyl)-5,6-dihydroxyindole-3-carbaldehyde
CID 88908779
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol
CID 138491902
bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone
CID 174625594
4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
CID 67760171
4-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]phenol;ethane
CID 143951072
[1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate
CID 174242673
1-(benzenesulfonyl)-4-chloroindole
CID 11716255
4-(2-chlorophenyl)-2-hydroxybenzenesulfonamide
CID 173126737

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one?
The IUPAC name of 1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one (CID 142635493) is 1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one?
The canonical SMILES for 1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one is O=c1cc(-c2ccccc2Cl)n(S(=O)(=O)c2ccccc2)c2cc(O)c(O)cc12.
What is the InChIKey of 1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one?
The InChIKey is ILANYBBHJUANMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO5S/c22-16-9-5-4-8-14(16)17-11-19(24)15-10-20(25)21(26)12-18(15)23(17)29(27,28)13-6-2-1-3-7-13/h1-12,25-26H.
What are the key properties of 1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one?
1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one has a molecular weight of 427.87 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one is sourced from PubChem (CID 142635493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).