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

C23H24F3N3O2S — CID 10151762

IUPACN-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)c1ccccc1
InChIInChI=1S/C23H24F3N3O2S/c24-23(25,26)19-6-4-5-18(13-19)21-15-27-22(29-21)17-11-9-16(10-12-17)14-28-32(30,31)20-7-2-1-3-8-20/h1-8,13,15-17,28H,9-12,14H2,(H,27,29)
InChIKeyNVHUYUFYASVZKR-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.35
Rot. Bonds6

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

N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide (PubChem CID 10151762) has the molecular formula C23H24F3N3O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
PubChem CID10151762
Molecular FormulaC23H24F3N3O2S
Molecular Weight463.53 g/mol
Exact Mass463.15
IUPAC NameN-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)c1ccccc1
InChIInChI=1S/C23H24F3N3O2S/c24-23(25,26)19-6-4-5-18(13-19)21-15-27-22(29-21)17-11-9-16(10-12-17)14-28-32(30,31)20-7-2-1-3-8-20/h1-8,13,15-17,28H,9-12,14H2,(H,27,29)
InChIKeyNVHUYUFYASVZKR-UHFFFAOYSA-N
XLogP5.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide (CID 10151762) is N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)c1ccccc1.
What is the InChIKey of N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is NVHUYUFYASVZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S/c24-23(25,26)19-6-4-5-18(13-19)21-15-27-22(29-21)17-11-9-16(10-12-17)14-28-32(30,31)20-7-2-1-3-8-20/h1-8,13,15-17,28H,9-12,14H2,(H,27,29).
What are the key properties of N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide?
N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 463.53 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 10151762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).