2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C22H25F3N2O3S — CID 68813718

IUPAC2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(c1ccc(C(F)(F)F)cc1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H25F3N2O3S/c23-22(24,25)18-12-10-17(11-13-18)20(21(26)28)16-8-6-15(7-9-16)14-27-31(29,30)19-4-2-1-3-5-19/h1-5,10-13,15-16,20,27H,6-9,14H2,(H2,26,28)
InChIKeyLPUZHFYBHASMKY-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.06
Rot. Bonds7

About 2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide

2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 68813718) has the molecular formula C22H25F3N2O3S and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID68813718
Molecular FormulaC22H25F3N2O3S
Molecular Weight454.51 g/mol
Exact Mass454.15
IUPAC Name2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(c1ccc(C(F)(F)F)cc1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H25F3N2O3S/c23-22(24,25)18-12-10-17(11-13-18)20(21(26)28)16-8-6-15(7-9-16)14-27-31(29,30)19-4-2-1-3-5-19/h1-5,10-13,15-16,20,27H,6-9,14H2,(H2,26,28)
InChIKeyLPUZHFYBHASMKY-UHFFFAOYSA-N
XLogP4.06
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide 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

2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 68814771
N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 7451559
1,1,1,3,3,3-hexafluoropropan-2-yl 4-(benzenesulfonamidomethyl)piperidine-1-carboxylate
CID 89480812
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
N-(cyclopropylmethyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37023245
N-[[4-[(pyridine-3-carbonylamino)carbamoyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11784998
tert-butyl (3R)-3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]pyrrolidine-1-carboxylate
CID 66559419
4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 152770738
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 58597511
2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 107396859
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
N-[[4-[5-(ethylamino)pentyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90912734

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 68813718) is 2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide is NC(=O)C(c1ccc(C(F)(F)F)cc1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LPUZHFYBHASMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3S/c23-22(24,25)18-12-10-17(11-13-18)20(21(26)28)16-8-6-15(7-9-16)14-27-31(29,30)19-4-2-1-3-5-19/h1-5,10-13,15-16,20,27H,6-9,14H2,(H2,26,28).
What are the key properties of 2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 454.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 68813718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).