2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide

C10H15F3N4O2S — CID 104709848

IUPAC2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C10H15F3N4O2S/c1-17-9(4-5-15-17)20(18,19)16-7-2-3-8(14-6-7)10(11,12)13/h4-5,7-8,14,16H,2-3,6H2,1H3
InChIKeyCPDOWAQPDGMZOJ-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.38
Rot. Bonds3

About 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide

2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide (PubChem CID 104709848) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide
PubChem CID104709848
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC Name2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C10H15F3N4O2S/c1-17-9(4-5-15-17)20(18,19)16-7-2-3-8(14-6-7)10(11,12)13/h4-5,7-8,14,16H,2-3,6H2,1H3
InChIKeyCPDOWAQPDGMZOJ-UHFFFAOYSA-N
XLogP0.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide (CID 104709848) is 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide?
The InChIKey is CPDOWAQPDGMZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-17-9(4-5-15-17)20(18,19)16-7-2-3-8(14-6-7)10(11,12)13/h4-5,7-8,14,16H,2-3,6H2,1H3.
What are the key properties of 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide?
2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide has a molecular weight of 312.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide is sourced from PubChem (CID 104709848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).