N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide

C24H26F3N3O2S — CID 10310958

IUPACN-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
SMILESCN(CC1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26F3N3O2S/c1-30(33(31,32)21-8-3-2-4-9-21)16-17-10-12-18(13-11-17)23-28-15-22(29-23)19-6-5-7-20(14-19)24(25,26)27/h2-9,14-15,17-18H,10-13,16H2,1H3,(H,28,29)
InChIKeyCXJPGJDQUHDVAV-UHFFFAOYSA-N
MW477.55 g/mol
LogP5.69
Rot. Bonds6

About N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide

N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide (PubChem CID 10310958) has the molecular formula C24H26F3N3O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
PubChem CID10310958
Molecular FormulaC24H26F3N3O2S
Molecular Weight477.55 g/mol
Exact Mass477.17
IUPAC NameN-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
SMILESCN(CC1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26F3N3O2S/c1-30(33(31,32)21-8-3-2-4-9-21)16-17-10-12-18(13-11-17)23-28-15-22(29-23)19-6-5-7-20(14-19)24(25,26)27/h2-9,14-15,17-18H,10-13,16H2,1H3,(H,28,29)
InChIKeyCXJPGJDQUHDVAV-UHFFFAOYSA-N
XLogP5.69
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]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-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide (CID 10310958) is N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide is CN(CC1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is CXJPGJDQUHDVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2S/c1-30(33(31,32)21-8-3-2-4-9-21)16-17-10-12-18(13-11-17)23-28-15-22(29-23)19-6-5-7-20(14-19)24(25,26)27/h2-9,14-15,17-18H,10-13,16H2,1H3,(H,28,29).
What are the key properties of N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide?
N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 477.55 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 10310958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).