N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide

C9H13F3N4O2S — CID 102691080

IUPACN-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)NC1)c1ccn[nH]1
InChIInChI=1S/C9H13F3N4O2S/c10-9(11,12)7-2-1-6(5-13-7)16-19(17,18)8-3-4-14-15-8/h3-4,6-7,13,16H,1-2,5H2,(H,14,15)
InChIKeyTVTWPYXKAWWGGG-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.37
Rot. Bonds3

About N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide

N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691080) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
PubChem CID102691080
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC NameN-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)NC1)c1ccn[nH]1
InChIInChI=1S/C9H13F3N4O2S/c10-9(11,12)7-2-1-6(5-13-7)16-19(17,18)8-3-4-14-15-8/h3-4,6-7,13,16H,1-2,5H2,(H,14,15)
InChIKeyTVTWPYXKAWWGGG-UHFFFAOYSA-N
XLogP0.37
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide (CID 102691080) is N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NC1CCC(C(F)(F)F)NC1)c1ccn[nH]1.
What is the InChIKey of N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide?
The InChIKey is TVTWPYXKAWWGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c10-9(11,12)7-2-1-6(5-13-7)16-19(17,18)8-3-4-14-15-8/h3-4,6-7,13,16H,1-2,5H2,(H,14,15).
What are the key properties of N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide?
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).