3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide

C25H19F3N2O2S — CID 57469004

IUPAC3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)c2)n1
InChIInChI=1S/C25H19F3N2O2S/c1-16-12-21(17-8-10-22(11-9-17)25(26,27)28)15-24(30-16)20-6-2-4-18(13-20)19-5-3-7-23(14-19)33(29,31)32/h2-15H,1H3,(H2,29,31,32)
InChIKeyCCVBWYAEPIXTOQ-UHFFFAOYSA-N
MW468.50 g/mol
LogP6.06
Rot. Bonds4

About 3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide

3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide (PubChem CID 57469004) has the molecular formula C25H19F3N2O2S and a molecular weight of 468.50 g/mol. Its IUPAC name is 3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide
PubChem CID57469004
Molecular FormulaC25H19F3N2O2S
Molecular Weight468.50 g/mol
Exact Mass468.11
IUPAC Name3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)c2)n1
InChIInChI=1S/C25H19F3N2O2S/c1-16-12-21(17-8-10-22(11-9-17)25(26,27)28)15-24(30-16)20-6-2-4-18(13-20)19-5-3-7-23(14-19)33(29,31)32/h2-15H,1H3,(H2,29,31,32)
InChIKeyCCVBWYAEPIXTOQ-UHFFFAOYSA-N
XLogP6.06
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.50
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide 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-(2,6-Dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
CID 10836786
2,6-Dimethyl-4-phenyl-1-(4-sulfamoyl-phenyl)-pyridinium; perchlorate
CID 10836787
N-Methyl-4''-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]biphenyl-3-sulfonamide
CID 46202904
4-[4-Phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]benzenesulfonamide perchlorate
CID 10505384
4-(2-Ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
CID 10505991
4-[2-(2,4-Diphenyl-6-propylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate
CID 10507009
4-[2-(2-Methyl-4,6-diphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate
CID 10530223
4-[2-(2-Butyl-4,6-diphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate
CID 10531119
4-[2-(2-Tert-butyl-4,6-diphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate
CID 10531121
4-[2-(2-Ethyl-4,6-diphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate
CID 10554523
4-(4-Phenyl-2,6-dipropylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
CID 10625036
4-[2-(2,6-Diphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate
CID 10625651

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide (CID 57469004) is 3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)c2)n1.
What is the InChIKey of 3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide?
The InChIKey is CCVBWYAEPIXTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2S/c1-16-12-21(17-8-10-22(11-9-17)25(26,27)28)15-24(30-16)20-6-2-4-18(13-20)19-5-3-7-23(14-19)33(29,31)32/h2-15H,1H3,(H2,29,31,32).
What are the key properties of 3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide?
3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide has a molecular weight of 468.50 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 57469004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).