N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide

C26H21FN4O2S — CID 24876371

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(-c2cnc(-c3cc4ccccc4cn3)[nH]2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H21FN4O2S/c1-17(18-9-11-22(27)12-10-18)31-34(32,33)23-8-4-7-20(13-23)25-16-29-26(30-25)24-14-19-5-2-3-6-21(19)15-28-24/h2-17,31H,1H3,(H,29,30)/t17-/m1/s1
InChIKeyDFNKSKCHBRQZRR-QGZVFWFLSA-N
MW472.55 g/mol
LogP5.47
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide (PubChem CID 24876371) has the molecular formula C26H21FN4O2S and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide
PubChem CID24876371
Molecular FormulaC26H21FN4O2S
Molecular Weight472.55 g/mol
Exact Mass472.14
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(-c2cnc(-c3cc4ccccc4cn3)[nH]2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H21FN4O2S/c1-17(18-9-11-22(27)12-10-18)31-34(32,33)23-8-4-7-20(13-23)25-16-29-26(30-25)24-14-19-5-2-3-6-21(19)15-28-24/h2-17,31H,1H3,(H,29,30)/t17-/m1/s1
InChIKeyDFNKSKCHBRQZRR-QGZVFWFLSA-N
XLogP5.47
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-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 N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide (CID 24876371) is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide is C[C@@H](NS(=O)(=O)c1cccc(-c2cnc(-c3cc4ccccc4cn3)[nH]2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide?
The InChIKey is DFNKSKCHBRQZRR-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H21FN4O2S/c1-17(18-9-11-22(27)12-10-18)31-34(32,33)23-8-4-7-20(13-23)25-16-29-26(30-25)24-14-19-5-2-3-6-21(19)15-28-24/h2-17,31H,1H3,(H,29,30)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide has a molecular weight of 472.55 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 24876371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).