5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C11H17F3N4O2S — CID 60910816

IUPAC5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H17F3N4O2S/c1-8-10(6-16-17-8)21(19,20)18(7-11(12,13)14)9-2-4-15-5-3-9/h6,9,15H,2-5,7H2,1H3,(H,16,17)
InChIKeyWUAHUCOTPOTRMU-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.02
Rot. Bonds4

About 5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60910816) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60910816
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H17F3N4O2S/c1-8-10(6-16-17-8)21(19,20)18(7-11(12,13)14)9-2-4-15-5-3-9/h6,9,15H,2-5,7H2,1H3,(H,16,17)
InChIKeyWUAHUCOTPOTRMU-UHFFFAOYSA-N
XLogP1.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60910816) is 5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WUAHUCOTPOTRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-8-10(6-16-17-8)21(19,20)18(7-11(12,13)14)9-2-4-15-5-3-9/h6,9,15H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60910816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).