1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline

C22H19NO2S — CID 175302706

IUPAC1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)=Cc3ccccc32)cc1
InChIInChI=1S/C22H19NO2S/c1-17-11-13-21(14-12-17)26(24,25)23-16-20(18-7-3-2-4-8-18)15-19-9-5-6-10-22(19)23/h2-15H,16H2,1H3
InChIKeyDJLVGBSKZILPKN-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.74
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline

1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline (PubChem CID 175302706) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline
PubChem CID175302706
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)=Cc3ccccc32)cc1
InChIInChI=1S/C22H19NO2S/c1-17-11-13-21(14-12-17)26(24,25)23-16-20(18-7-3-2-4-8-18)15-19-9-5-6-10-22(19)23/h2-15H,16H2,1H3
InChIKeyDJLVGBSKZILPKN-UHFFFAOYSA-N
XLogP4.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline 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

4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
CID 164898045
3-(difluoromethylidene)-1-(4-methylphenyl)sulfonyl-2H-indole
CID 101186330
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
3,6-diiodo-1-(4-methylphenyl)sulfonyl-2H-quinoline
CID 102414401
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599
5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine
CID 102581556
2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine
CID 56927367
2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
(4Z)-4-(hydroxymethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one
CID 44723400
(3Z)-1,6-bis-(4-methylphenyl)sulfonyl-5,7-dihydro-2H-1,6-benzodiazonine
CID 132608825
5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole
CID 132990624

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline (CID 175302706) is 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)=Cc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline?
The InChIKey is DJLVGBSKZILPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-17-11-13-21(14-12-17)26(24,25)23-16-20(18-7-3-2-4-8-18)15-19-9-5-6-10-22(19)23/h2-15H,16H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline?
1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline has a molecular weight of 361.47 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline is sourced from PubChem (CID 175302706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).