1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide

C11H15F3N4O3S — CID 136516663

IUPAC1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCN(CC(F)(F)F)C2=O)cn1
InChIInChI=1S/C11H15F3N4O3S/c1-17-6-8(5-15-17)22(20,21)16-9-3-2-4-18(10(9)19)7-11(12,13)14/h5-6,9,16H,2-4,7H2,1H3
InChIKeyFWPNPCMWTPYAKE-UHFFFAOYSA-N
MW340.33 g/mol
LogP0.25
Rot. Bonds4

About 1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide

1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide (PubChem CID 136516663) has the molecular formula C11H15F3N4O3S and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
PubChem CID136516663
Molecular FormulaC11H15F3N4O3S
Molecular Weight340.33 g/mol
Exact Mass340.08
IUPAC Name1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCN(CC(F)(F)F)C2=O)cn1
InChIInChI=1S/C11H15F3N4O3S/c1-17-6-8(5-15-17)22(20,21)16-9-3-2-4-18(10(9)19)7-11(12,13)14/h5-6,9,16H,2-4,7H2,1H3
InChIKeyFWPNPCMWTPYAKE-UHFFFAOYSA-N
XLogP0.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide (CID 136516663) is 1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2CCCN(CC(F)(F)F)C2=O)cn1.
What is the InChIKey of 1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The InChIKey is FWPNPCMWTPYAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3S/c1-17-6-8(5-15-17)22(20,21)16-9-3-2-4-18(10(9)19)7-11(12,13)14/h5-6,9,16H,2-4,7H2,1H3.
What are the key properties of 1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide has a molecular weight of 340.33 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 136516663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).