2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide

C7H9F6NO5S2 — CID 163668861

IUPAC2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)CC(=O)NS(C)(=O)=O
InChIInChI=1S/C7H9F6NO5S2/c1-5(8,9)6(10,11)7(12,13)21(18,19)3-4(15)14-20(2,16)17/h3H2,1-2H3,(H,14,15)
InChIKeyXPMAAPNFGPPGAG-UHFFFAOYSA-N
MW365.27 g/mol
LogP0.36
Rot. Bonds6

About 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide

2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide (PubChem CID 163668861) has the molecular formula C7H9F6NO5S2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide
PubChem CID163668861
Molecular FormulaC7H9F6NO5S2
Molecular Weight365.27 g/mol
Exact Mass364.98
IUPAC Name2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)CC(=O)NS(C)(=O)=O
InChIInChI=1S/C7H9F6NO5S2/c1-5(8,9)6(10,11)7(12,13)21(18,19)3-4(15)14-20(2,16)17/h3H2,1-2H3,(H,14,15)
InChIKeyXPMAAPNFGPPGAG-UHFFFAOYSA-N
XLogP0.36
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide 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

3-bromo-N-methylsulfonylpropanamide
CID 22045909
methyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)acetate
CID 53386603
2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide
CID 58895987
3-amino-N-methylsulfonylpropanamide
CID 14028235
2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride
CID 129050816
2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide
CID 89050003
1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane
CID 157186691
1-(1,1,2,2,3,3-hexafluorobutylsulfonylmethyl)adamantane
CID 58122744
1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide
CID 167233099
[3-(methanesulfonamido)-3-oxopropyl]carbamic acid
CID 87207145
5-amino-N-methylsulfonylpentanamide
CID 103287281
2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide
CID 174355180

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide?
The IUPAC name of 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide (CID 163668861) is 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide.
What is the SMILES notation for 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide?
The canonical SMILES for 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)CC(=O)NS(C)(=O)=O.
What is the InChIKey of 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide?
The InChIKey is XPMAAPNFGPPGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6NO5S2/c1-5(8,9)6(10,11)7(12,13)21(18,19)3-4(15)14-20(2,16)17/h3H2,1-2H3,(H,14,15).
What are the key properties of 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide?
2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide has a molecular weight of 365.27 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide is sourced from PubChem (CID 163668861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).