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

C13H22F2N4O2S — CID 99825189

IUPAC1-(2,2-difluoroethyl)-N-[(2S)-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-/m0/s1
InChIKeyCLVMEISYXFKRBK-NSHDSACASA-N
MW336.41 g/mol
LogP1.30
Rot. Bonds7

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

1-(2,2-difluoroethyl)-N-[(2S)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide (PubChem CID 99825189) has the molecular formula C13H22F2N4O2S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(2S)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(2S)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide
PubChem CID99825189
Molecular FormulaC13H22F2N4O2S
Molecular Weight336.41 g/mol
Exact Mass336.14
IUPAC Name1-(2,2-difluoroethyl)-N-[(2S)-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-/m0/s1
InChIKeyCLVMEISYXFKRBK-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(2S)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(2S)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide (CID 99825189) is 1-(2,2-difluoroethyl)-N-[(2S)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(2S)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(2S)-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-[(2S)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is CLVMEISYXFKRBK-NSHDSACASA-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-/m0/s1.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(2S)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide?
1-(2,2-difluoroethyl)-N-[(2S)-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-[(2S)-1-piperidin-1-ylpropan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 99825189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).