2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide

C6H9F5N2O3S — CID 114038127

IUPAC2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide
SMILESCS(=O)(=O)NCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5N2O3S/c1-17(15,16)13-3-2-12-4(14)5(7,8)6(9,10)11/h13H,2-3H2,1H3,(H,12,14)
InChIKeyBHOULYWROQOBDY-UHFFFAOYSA-N
MW284.21 g/mol
LogP-0.15
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide

2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide (PubChem CID 114038127) has the molecular formula C6H9F5N2O3S and a molecular weight of 284.21 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide
PubChem CID114038127
Molecular FormulaC6H9F5N2O3S
Molecular Weight284.21 g/mol
Exact Mass284.03
IUPAC Name2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide
SMILESCS(=O)(=O)NCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5N2O3S/c1-17(15,16)13-3-2-12-4(14)5(7,8)6(9,10)11/h13H,2-3H2,1H3,(H,12,14)
InChIKeyBHOULYWROQOBDY-UHFFFAOYSA-N
XLogP-0.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide (CID 114038127) is 2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide is CS(=O)(=O)NCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide?
The InChIKey is BHOULYWROQOBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5N2O3S/c1-17(15,16)13-3-2-12-4(14)5(7,8)6(9,10)11/h13H,2-3H2,1H3,(H,12,14).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide?
2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide has a molecular weight of 284.21 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)ethyl]propanamide is sourced from PubChem (CID 114038127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).