N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide

C8H11F5N2O5S2 — CID 88855230

IUPACN-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide
SMILESO=C(NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H11F5N2O5S2/c9-7(10,11)6(16)14-21(17,18)8(12,13)22(19,20)15-4-2-1-3-5-15/h1-5H2,(H,14,16)
InChIKeyYNKQFAAESPVKQU-UHFFFAOYSA-N
MW374.31 g/mol
LogP0.36
Rot. Bonds4

About N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide

N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide (PubChem CID 88855230) has the molecular formula C8H11F5N2O5S2 and a molecular weight of 374.31 g/mol. Its IUPAC name is N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide
PubChem CID88855230
Molecular FormulaC8H11F5N2O5S2
Molecular Weight374.31 g/mol
Exact Mass374.00
IUPAC NameN-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide
SMILESO=C(NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H11F5N2O5S2/c9-7(10,11)6(16)14-21(17,18)8(12,13)22(19,20)15-4-2-1-3-5-15/h1-5H2,(H,14,16)
InChIKeyYNKQFAAESPVKQU-UHFFFAOYSA-N
XLogP0.36
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide
CID 87267309
CID 87267100
CID 87267100
3-(azocan-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 87431538
N-piperidin-1-ylsulfonylacetamide
CID 59405916
1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)azepane
CID 126638181
2,2,3,3,4,4-hexafluoro-4-piperidin-1-ylsulfonylbutaneperoxoic acid
CID 59817175
3-(azocan-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-thiol
CID 89345835
4-deuterio-1-(trifluoromethylsulfonyl)piperidine
CID 175981721
N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide
CID 88580501
sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid
CID 173392621
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid
CID 61262486

Frequently Asked Questions

What is the IUPAC name of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide (CID 88855230) is N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide is O=C(NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide?
The InChIKey is YNKQFAAESPVKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5N2O5S2/c9-7(10,11)6(16)14-21(17,18)8(12,13)22(19,20)15-4-2-1-3-5-15/h1-5H2,(H,14,16).
What are the key properties of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide?
N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide has a molecular weight of 374.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88855230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).