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

C7H11F5N2O3S — CID 106342885

IUPAC2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide
SMILESCS(=O)(=O)NCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5N2O3S/c1-18(16,17)14-4-2-3-13-5(15)6(8,9)7(10,11)12/h14H,2-4H2,1H3,(H,13,15)
InChIKeyJSZUIVCTQRAGHW-UHFFFAOYSA-N
MW298.23 g/mol
LogP0.24
Rot. Bonds6

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

2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide (PubChem CID 106342885) has the molecular formula C7H11F5N2O3S and a molecular weight of 298.23 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide
PubChem CID106342885
Molecular FormulaC7H11F5N2O3S
Molecular Weight298.23 g/mol
Exact Mass298.04
IUPAC Name2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide
SMILESCS(=O)(=O)NCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5N2O3S/c1-18(16,17)14-4-2-3-13-5(15)6(8,9)7(10,11)12/h14H,2-4H2,1H3,(H,13,15)
InChIKeyJSZUIVCTQRAGHW-UHFFFAOYSA-N
XLogP0.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 50.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide (CID 106342885) is 2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide is CS(=O)(=O)NCCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide?
The InChIKey is JSZUIVCTQRAGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5N2O3S/c1-18(16,17)14-4-2-3-13-5(15)6(8,9)7(10,11)12/h14H,2-4H2,1H3,(H,13,15).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide?
2,2,3,3,3-pentafluoro-N-[3-(methanesulfonamido)propyl]propanamide has a molecular weight of 298.23 g/mol, XLogP of 0.24, 6 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-[3-(methanesulfonamido)propyl]propanamide is sourced from PubChem (CID 106342885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).