1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide

C13H22F2N4O2S — CID 99825190

IUPAC1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide
SMILESC[C@H](CN1CCCCC1)NS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C13H22F2N4O2S/c1-11(8-18-5-3-2-4-6-18)17-22(20,21)12-7-16-19(9-12)10-13(14)15/h7,9,11,13,17H,2-6,8,10H2,1H3/t11-/m1/s1
InChIKeyCLVMEISYXFKRBK-LLVKDONJSA-N
MW336.41 g/mol
LogP1.30
Rot. Bonds7

About 1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide

1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide (PubChem CID 99825190) has the molecular formula C13H22F2N4O2S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide
PubChem CID99825190
Molecular FormulaC13H22F2N4O2S
Molecular Weight336.41 g/mol
Exact Mass336.14
IUPAC Name1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide
SMILESC[C@H](CN1CCCCC1)NS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C13H22F2N4O2S/c1-11(8-18-5-3-2-4-6-18)17-22(20,21)12-7-16-19(9-12)10-13(14)15/h7,9,11,13,17H,2-6,8,10H2,1H3/t11-/m1/s1
InChIKeyCLVMEISYXFKRBK-LLVKDONJSA-N
XLogP1.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
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
Butyl[(1-ethylpyrazol-4-yl)sulfonyl]amine
CID 6466889
N-(1-cycloheptyl-3-piperidinyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 56896207
N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 91920924
1-methyl-N-(2-pyrrolidin-1-ylbutyl)pyrazole-4-sulfonamide
CID 45822387

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide (CID 99825190) is 1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide is C[C@H](CN1CCCCC1)NS(=O)(=O)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is CLVMEISYXFKRBK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22F2N4O2S/c1-11(8-18-5-3-2-4-6-18)17-22(20,21)12-7-16-19(9-12)10-13(14)15/h7,9,11,13,17H,2-6,8,10H2,1H3/t11-/m1/s1.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide?
1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 336.41 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 99825190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).