2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide

C13H20F3N3O3S — CID 71606675

IUPAC2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(C(O)C(F)(F)F)cnc1C1CCCCC1
InChIInChI=1S/C13H20F3N3O3S/c1-18(2)23(21,22)19-10(11(20)13(14,15)16)8-17-12(19)9-6-4-3-5-7-9/h8-9,11,20H,3-7H2,1-2H3
InChIKeyUYMIBZWSYXRPDC-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.18
Rot. Bonds4

About 2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide

2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide (PubChem CID 71606675) has the molecular formula C13H20F3N3O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide.

Molecular Properties

Compound Name2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide
PubChem CID71606675
Molecular FormulaC13H20F3N3O3S
Molecular Weight355.38 g/mol
Exact Mass355.12
IUPAC Name2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(C(O)C(F)(F)F)cnc1C1CCCCC1
InChIInChI=1S/C13H20F3N3O3S/c1-18(2)23(21,22)19-10(11(20)13(14,15)16)8-17-12(19)9-6-4-3-5-7-9/h8-9,11,20H,3-7H2,1-2H3
InChIKeyUYMIBZWSYXRPDC-UHFFFAOYSA-N
XLogP2.18
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide?
The IUPAC name of 2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide (CID 71606675) is 2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide.
What is the SMILES notation for 2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide?
The canonical SMILES for 2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide is CN(C)S(=O)(=O)n1c(C(O)C(F)(F)F)cnc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide?
The InChIKey is UYMIBZWSYXRPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O3S/c1-18(2)23(21,22)19-10(11(20)13(14,15)16)8-17-12(19)9-6-4-3-5-7-9/h8-9,11,20H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide?
2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide has a molecular weight of 355.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide is sourced from PubChem (CID 71606675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).