3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide

C21H20ClF3N4O2S — CID 162601293

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(CCC2CCC2)c1)c1cncn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C21H20ClF3N4O2S/c22-18-10-16(21(23,24)25)11-27-20(18)29-13-26-12-19(29)32(30,31)28-17-6-2-5-15(9-17)8-7-14-3-1-4-14/h2,5-6,9-14,28H,1,3-4,7-8H2
InChIKeyIJJVPEDEHYEYPV-UHFFFAOYSA-N
MW484.93 g/mol
LogP5.47
Rot. Bonds7

About 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide (PubChem CID 162601293) has the molecular formula C21H20ClF3N4O2S and a molecular weight of 484.93 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide
PubChem CID162601293
Molecular FormulaC21H20ClF3N4O2S
Molecular Weight484.93 g/mol
Exact Mass484.09
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(CCC2CCC2)c1)c1cncn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C21H20ClF3N4O2S/c22-18-10-16(21(23,24)25)11-27-20(18)29-13-26-12-19(29)32(30,31)28-17-6-2-5-15(9-17)8-7-14-3-1-4-14/h2,5-6,9-14,28H,1,3-4,7-8H2
InChIKeyIJJVPEDEHYEYPV-UHFFFAOYSA-N
XLogP5.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.93
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide 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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
CID 70138441
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide
CID 90379792
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide
CID 70138416
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]sulfonylpiperazine
CID 5102340
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid
CID 69085891
2-[3-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80673381
4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 27826347
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027
4-chloro-N-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzenesulfonamide
CID 118855365
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 24506854
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide (CID 162601293) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide is O=S(=O)(Nc1cccc(CCC2CCC2)c1)c1cncn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide?
The InChIKey is IJJVPEDEHYEYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N4O2S/c22-18-10-16(21(23,24)25)11-27-20(18)29-13-26-12-19(29)32(30,31)28-17-6-2-5-15(9-17)8-7-14-3-1-4-14/h2,5-6,9-14,28H,1,3-4,7-8H2.
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide has a molecular weight of 484.93 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 162601293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).