1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide

C10H15F3N4O2S — CID 82812278

IUPAC1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)cn1
InChIInChI=1S/C10H15F3N4O2S/c1-17-6-8(5-15-17)20(18,19)16-7-2-3-9(14-4-7)10(11,12)13/h5-7,9,14,16H,2-4H2,1H3
InChIKeyQQBCDTIMHGNSTH-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.38
Rot. Bonds3

About 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide

1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide (PubChem CID 82812278) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide
PubChem CID82812278
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC Name1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)cn1
InChIInChI=1S/C10H15F3N4O2S/c1-17-6-8(5-15-17)20(18,19)16-7-2-3-9(14-4-7)10(11,12)13/h5-7,9,14,16H,2-4H2,1H3
InChIKeyQQBCDTIMHGNSTH-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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Related Compounds

N-cyclohexyl-1-ethylpyrazole-4-sulfonamide
CID 6466244
(3R*,4S*)-4-propyl-1-[(1-propyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 72874326
N-cyclopentyl-1-ethyl-1H-pyrazole-4-sulfonamide
CID 19582858
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine hydrochloride
CID 53536972
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 56894259
1-(1-Propan-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 71688427
3-Piperidin-1-yl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 71997606
N-(1-cycloheptyl-3-piperidinyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 56896207
1-((1-(Difluoromethyl)-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperazine
CID 19620796
N-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 40150216
1-methyl-N-(2-pyrrolidin-1-ylbutyl)pyrazole-4-sulfonamide
CID 45822387

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide (CID 82812278) is 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2CCC(C(F)(F)F)NC2)cn1.
What is the InChIKey of 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The InChIKey is QQBCDTIMHGNSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-17-6-8(5-15-17)20(18,19)16-7-2-3-9(14-4-7)10(11,12)13/h5-7,9,14,16H,2-4H2,1H3.
What are the key properties of 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-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 1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 82812278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).