N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide

C23H22F3N3O3S — CID 10217416

IUPACN-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C23H22F3N3O3S/c24-23(25,26)18-6-4-5-17(13-18)20-14-27-21(28-20)15-9-11-16(12-10-15)22(30)29-33(31,32)19-7-2-1-3-8-19/h1-8,13-16H,9-12H2,(H,27,28)(H,29,30)
InChIKeyOGSCHRSUQSCGBL-UHFFFAOYSA-N
MW477.51 g/mol
LogP4.87
Rot. Bonds5

About N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide

N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 10217416) has the molecular formula C23H22F3N3O3S and a molecular weight of 477.51 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
PubChem CID10217416
Molecular FormulaC23H22F3N3O3S
Molecular Weight477.51 g/mol
Exact Mass477.13
IUPAC NameN-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C23H22F3N3O3S/c24-23(25,26)18-6-4-5-17(13-18)20-14-27-21(28-20)15-9-11-16(12-10-15)22(30)29-33(31,32)19-7-2-1-3-8-19/h1-8,13-16H,9-12H2,(H,27,28)(H,29,30)
InChIKeyOGSCHRSUQSCGBL-UHFFFAOYSA-N
XLogP4.87
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide 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

N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10151762
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
N-[(1s)-1-(4-Benzyl-1h-Imidazol-2-Yl)-2-{4-[(5s)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}ethyl]-3-(Trifluoromethyl)benzenesulfonamide
CID 17749737
N-{(1s)-2-{4-[(5s)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}-1-[4-(3-Phenylpropyl)-1h-Imidazol-2-Yl]ethyl}-3-Fluorobenzenesulfonamide
CID 17749740
N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 10173110
N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10310958
4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 11509611
N-[1-(5-phenyl-1H-imidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 44446132
N-[1-(5-benzyl-1H-imidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 44446133
(S)-4-cyano-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)benzenesulfonamide
CID 44590027
(S)-3-cyano-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)benzenesulfonamide
CID 44590028
(S)-2-cyano-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)benzenesulfonamide
CID 44590116

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (CID 10217416) is N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is O=C(NS(=O)(=O)c1ccccc1)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is OGSCHRSUQSCGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3S/c24-23(25,26)18-6-4-5-17(13-18)20-14-27-21(28-20)15-9-11-16(12-10-15)22(30)29-33(31,32)19-7-2-1-3-8-19/h1-8,13-16H,9-12H2,(H,27,28)(H,29,30).
What are the key properties of N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 477.51 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 10217416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).