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

C10H15F3N4O2S — CID 60916745

IUPACN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn[nH]c1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H15F3N4O2S/c11-10(12,13)7-17(8-1-3-14-4-2-8)20(18,19)9-5-15-16-6-9/h5-6,8,14H,1-4,7H2,(H,15,16)
InChIKeyYXFUWCKTVINWKS-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.71
Rot. Bonds4

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

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60916745) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60916745
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn[nH]c1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H15F3N4O2S/c11-10(12,13)7-17(8-1-3-14-4-2-8)20(18,19)9-5-15-16-6-9/h5-6,8,14H,1-4,7H2,(H,15,16)
InChIKeyYXFUWCKTVINWKS-UHFFFAOYSA-N
XLogP0.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60916745) is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(c1cn[nH]c1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YXFUWCKTVINWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c11-10(12,13)7-17(8-1-3-14-4-2-8)20(18,19)9-5-15-16-6-9/h5-6,8,14H,1-4,7H2,(H,15,16).
What are the key properties of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 312.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60916745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).