4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide

C23H15F3N4O3S — CID 127048031

IUPAC4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cc1
InChIInChI=1S/C23H15F3N4O3S/c24-23(25,26)15-2-1-3-16(11-15)30-21-18-10-14(13-4-7-17(8-5-13)34(27,32)33)6-9-19(18)28-12-20(21)29-22(30)31/h1-12H,(H,29,31)(H2,27,32,33)
InChIKeyGIZXLKSNWJMFMJ-UHFFFAOYSA-N
MW484.46 g/mol
LogP4.20
Rot. Bonds3

About 4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide

4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide (PubChem CID 127048031) has the molecular formula C23H15F3N4O3S and a molecular weight of 484.46 g/mol. Its IUPAC name is 4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide
PubChem CID127048031
Molecular FormulaC23H15F3N4O3S
Molecular Weight484.46 g/mol
Exact Mass484.08
IUPAC Name4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cc1
InChIInChI=1S/C23H15F3N4O3S/c24-23(25,26)15-2-1-3-16(11-15)30-21-18-10-14(13-4-7-17(8-5-13)34(27,32)33)6-9-19(18)28-12-20(21)29-22(30)31/h1-12H,(H,29,31)(H2,27,32,33)
InChIKeyGIZXLKSNWJMFMJ-UHFFFAOYSA-N
XLogP4.20
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide 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 4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide?
The IUPAC name of 4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide (CID 127048031) is 4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cc1.
What is the InChIKey of 4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide?
The InChIKey is GIZXLKSNWJMFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O3S/c24-23(25,26)15-2-1-3-16(11-15)30-21-18-10-14(13-4-7-17(8-5-13)34(27,32)33)6-9-19(18)28-12-20(21)29-22(30)31/h1-12H,(H,29,31)(H2,27,32,33).
What are the key properties of 4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide?
4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide has a molecular weight of 484.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide is sourced from PubChem (CID 127048031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).