1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide

C11H17F3N4O2S — CID 82795104

IUPAC1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)cn1C
InChIInChI=1S/C11H17F3N4O2S/c1-7-16-10(6-18(7)2)21(19,20)17-8-3-4-9(15-5-8)11(12,13)14/h6,8-9,15,17H,3-5H2,1-2H3
InChIKeyRNGDOZXRCBFGQN-UHFFFAOYSA-N
MW326.34 g/mol
LogP0.69
Rot. Bonds3

About 1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide

1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide (PubChem CID 82795104) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide
PubChem CID82795104
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)cn1C
InChIInChI=1S/C11H17F3N4O2S/c1-7-16-10(6-18(7)2)21(19,20)17-8-3-4-9(15-5-8)11(12,13)14/h6,8-9,15,17H,3-5H2,1-2H3
InChIKeyRNGDOZXRCBFGQN-UHFFFAOYSA-N
XLogP0.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide (CID 82795104) is 1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide?
The InChIKey is RNGDOZXRCBFGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-7-16-10(6-18(7)2)21(19,20)17-8-3-4-9(15-5-8)11(12,13)14/h6,8-9,15,17H,3-5H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 82795104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).