1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide

C18H25F3N6O2S — CID 126853577

IUPAC1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1nc(N2CCC(NS(=O)(=O)c3cn(C)c(C(C)C)n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H25F3N6O2S/c1-11(2)17-24-16(10-26(17)4)30(28,29)25-13-5-7-27(8-6-13)15-9-14(18(19,20)21)22-12(3)23-15/h9-11,13,25H,5-8H2,1-4H3
InChIKeyZNSOGQQFSDOEHT-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.61
Rot. Bonds5

About 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide

1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 126853577) has the molecular formula C18H25F3N6O2S and a molecular weight of 446.50 g/mol. Its IUPAC name is 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID126853577
Molecular FormulaC18H25F3N6O2S
Molecular Weight446.50 g/mol
Exact Mass446.17
IUPAC Name1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1nc(N2CCC(NS(=O)(=O)c3cn(C)c(C(C)C)n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H25F3N6O2S/c1-11(2)17-24-16(10-26(17)4)30(28,29)25-13-5-7-27(8-6-13)15-9-14(18(19,20)21)22-12(3)23-15/h9-11,13,25H,5-8H2,1-4H3
InChIKeyZNSOGQQFSDOEHT-UHFFFAOYSA-N
XLogP2.61
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide (CID 126853577) is 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide is Cc1nc(N2CCC(NS(=O)(=O)c3cn(C)c(C(C)C)n3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is ZNSOGQQFSDOEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N6O2S/c1-11(2)17-24-16(10-26(17)4)30(28,29)25-13-5-7-27(8-6-13)15-9-14(18(19,20)21)22-12(3)23-15/h9-11,13,25H,5-8H2,1-4H3.
What are the key properties of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide?
1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 446.50 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 126853577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).