N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide

C21H20N4O2S — CID 50816850

IUPACN-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ccc2nc(-c3cccc(NS(=O)(=O)c4cnc[nH]4)c3)ccc2c1
InChIInChI=1S/C21H20N4O2S/c1-14(2)15-6-8-20-17(10-15)7-9-19(24-20)16-4-3-5-18(11-16)25-28(26,27)21-12-22-13-23-21/h3-14,25H,1-2H3,(H,22,23)
InChIKeyHAPBNAYBSHYYKZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.55
Rot. Bonds5

About N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide

N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide (PubChem CID 50816850) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide
PubChem CID50816850
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ccc2nc(-c3cccc(NS(=O)(=O)c4cnc[nH]4)c3)ccc2c1
InChIInChI=1S/C21H20N4O2S/c1-14(2)15-6-8-20-17(10-15)7-9-19(24-20)16-4-3-5-18(11-16)25-28(26,27)21-12-22-13-23-21/h3-14,25H,1-2H3,(H,22,23)
InChIKeyHAPBNAYBSHYYKZ-UHFFFAOYSA-N
XLogP4.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide (CID 50816850) is N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide is CC(C)c1ccc2nc(-c3cccc(NS(=O)(=O)c4cnc[nH]4)c3)ccc2c1.
What is the InChIKey of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide?
The InChIKey is HAPBNAYBSHYYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14(2)15-6-8-20-17(10-15)7-9-19(24-20)16-4-3-5-18(11-16)25-28(26,27)21-12-22-13-23-21/h3-14,25H,1-2H3,(H,22,23).
What are the key properties of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide?
N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 50816850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).