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

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Related Compounds

Sb-203580
CID 176155
Adezmapimod, (S)-
CID 9543416
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
2-(cyclohexylmethyl)-5-(4-phenylphenyl)-1H-imidazole
CID 9966703
5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
CID 10109974
N-[2-(2,5-diphenyl-1H-imidazol-4-yl)ethyl]-4-pentylbenzene-1-sulfonamide
CID 24825344
2,4,5-Tri-substituted imidazole, 6b
CID 24825345
4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzene-1-sulfonamide
CID 121231398
N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10151762
N-methyl-3-(1-methyl-1H-imidazol-4-yl)-4-(((4-(trifluoromethyl)phenyl)methyl)amino)benzene-1-sulfonamide
CID 155342988
N-[(1s)-2-{4-[(5s)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}-1-(4-Phenyl-1h-Imidazol-2-Yl)ethyl]-3-(Trifluoromethyl)benzenesulfonamide
CID 17749736

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).