2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide

C20H26F3N3O3S — CID 66596036

IUPAC2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(c2ncc(-c3cccc(OC(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C20H26F3N3O3S/c1-19(2,3)30(27,28)26-15-9-7-13(8-10-15)18-24-12-17(25-18)14-5-4-6-16(11-14)29-20(21,22)23/h4-6,11-13,15,26H,7-10H2,1-3H3,(H,24,25)
InChIKeyKRPGSJIVZNECAQ-UHFFFAOYSA-N
MW445.51 g/mol
LogP4.72
Rot. Bonds5

About 2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide

2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide (PubChem CID 66596036) has the molecular formula C20H26F3N3O3S and a molecular weight of 445.51 g/mol. Its IUPAC name is 2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide
PubChem CID66596036
Molecular FormulaC20H26F3N3O3S
Molecular Weight445.51 g/mol
Exact Mass445.16
IUPAC Name2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(c2ncc(-c3cccc(OC(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C20H26F3N3O3S/c1-19(2,3)30(27,28)26-15-9-7-13(8-10-15)18-24-12-17(25-18)14-5-4-6-16(11-14)29-20(21,22)23/h4-6,11-13,15,26H,7-10H2,1-3H3,(H,24,25)
InChIKeyKRPGSJIVZNECAQ-UHFFFAOYSA-N
XLogP4.72
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide (CID 66596036) is 2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(c2ncc(-c3cccc(OC(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of 2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is KRPGSJIVZNECAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3S/c1-19(2,3)30(27,28)26-15-9-7-13(8-10-15)18-24-12-17(25-18)14-5-4-6-16(11-14)29-20(21,22)23/h4-6,11-13,15,26H,7-10H2,1-3H3,(H,24,25).
What are the key properties of 2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide?
2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 445.51 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 66596036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).