1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide

C14H17F3N6O2S — CID 119102241

IUPAC1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1
InChIInChI=1S/C14H17F3N6O2S/c1-22-7-13(20-9-22)26(24,25)21-10-2-4-23(5-3-10)12-6-11(14(15,16)17)18-8-19-12/h6-10,21H,2-5H2,1H3
InChIKeyCIRYQAHLWHLDAD-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.18
Rot. Bonds4

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

1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide (PubChem CID 119102241) has the molecular formula C14H17F3N6O2S and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide
PubChem CID119102241
Molecular FormulaC14H17F3N6O2S
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Name1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1
InChIInChI=1S/C14H17F3N6O2S/c1-22-7-13(20-9-22)26(24,25)21-10-2-4-23(5-3-10)12-6-11(14(15,16)17)18-8-19-12/h6-10,21H,2-5H2,1H3
InChIKeyCIRYQAHLWHLDAD-UHFFFAOYSA-N
XLogP1.18
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US9656955, Example 531
CID 90404787
4-(4-((1-methyl-1H-imidazol-4-yl)sulfonyl)piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 91631574
4-Methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine
CID 95824699
N-[(3R,4S)-4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 90404784
N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 90404785
3-(4,4-Difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
CID 141336148
4-N-cyclopentyl-2-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 170444300
2-((1-((1-methyl-1H-imidazol-4-yl)sulfonyl)piperidin-3-yl)oxy)-4-(trifluoromethyl)pyrimidine
CID 122267870
2-((1-((1-isopropyl-1H-imidazol-4-yl)sulfonyl)piperidin-3-yl)oxy)-4-(trifluoromethyl)pyrimidine
CID 122267888
2-((1-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)piperidin-3-yl)oxy)-4-(trifluoromethyl)pyrimidine
CID 122267894
2-((1-((1-ethyl-2-methyl-1H-imidazol-4-yl)sulfonyl)piperidin-3-yl)oxy)-4-(trifluoromethyl)pyrimidine
CID 122267900
2-methyl-4-{4-[(1-methyl-1H-imidazol-2-yl)sulfonyl]piperazin-1-yl}-6-(trifluoromethyl)pyrimidine
CID 126851336

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide (CID 119102241) is 1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1.
What is the InChIKey of 1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide?
The InChIKey is CIRYQAHLWHLDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O2S/c1-22-7-13(20-9-22)26(24,25)21-10-2-4-23(5-3-10)12-6-11(14(15,16)17)18-8-19-12/h6-10,21H,2-5H2,1H3.
What are the key properties of 1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide?
1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide has a molecular weight of 390.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 119102241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).