2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide

C11H17F3N4O2S — CID 82794529

IUPAC2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)[nH]1
InChIInChI=1S/C11H17F3N4O2S/c1-2-9-16-6-10(17-9)21(19,20)18-7-3-4-8(15-5-7)11(12,13)14/h6-8,15,18H,2-5H2,1H3,(H,16,17)
InChIKeyYZZQWQNWILPCKL-UHFFFAOYSA-N
MW326.34 g/mol
LogP0.93
Rot. Bonds4

About 2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide

2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide (PubChem CID 82794529) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide
PubChem CID82794529
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)[nH]1
InChIInChI=1S/C11H17F3N4O2S/c1-2-9-16-6-10(17-9)21(19,20)18-7-3-4-8(15-5-7)11(12,13)14/h6-8,15,18H,2-5H2,1H3,(H,16,17)
InChIKeyYZZQWQNWILPCKL-UHFFFAOYSA-N
XLogP0.93
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide (CID 82794529) is 2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)[nH]1.
What is the InChIKey of 2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide?
The InChIKey is YZZQWQNWILPCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-2-9-16-6-10(17-9)21(19,20)18-7-3-4-8(15-5-7)11(12,13)14/h6-8,15,18H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 82794529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).