1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C11H17F3N4O2S — CID 62373282

IUPAC1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CC(F)(F)F)C2CCNCC2)c1
InChIInChI=1S/C11H17F3N4O2S/c1-17-6-10(16-8-17)21(19,20)18(7-11(12,13)14)9-2-4-15-5-3-9/h6,8-9,15H,2-5,7H2,1H3
InChIKeyGWDWXZNVVYOPSB-UHFFFAOYSA-N
MW326.34 g/mol
LogP0.73
Rot. Bonds4

About 1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 62373282) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID62373282
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CC(F)(F)F)C2CCNCC2)c1
InChIInChI=1S/C11H17F3N4O2S/c1-17-6-10(16-8-17)21(19,20)18(7-11(12,13)14)9-2-4-15-5-3-9/h6,8-9,15H,2-5,7H2,1H3
InChIKeyGWDWXZNVVYOPSB-UHFFFAOYSA-N
XLogP0.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 62373282) is 1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N(CC(F)(F)F)C2CCNCC2)c1.
What is the InChIKey of 1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is GWDWXZNVVYOPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-17-6-10(16-8-17)21(19,20)18(7-11(12,13)14)9-2-4-15-5-3-9/h6,8-9,15H,2-5,7H2,1H3.
What are the key properties of 1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 62373282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).