2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide

C10H9F5N2O3S — CID 10449409

IUPAC2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H9F5N2O3S/c11-9(12,10(13,14)15)8(18)17-5-6-1-3-7(4-2-6)21(16,19)20/h1-4H,5H2,(H,17,18)(H2,16,19,20)
InChIKeyJTNKSIGOUTURRR-UHFFFAOYSA-N
MW332.25 g/mol
LogP1.15
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide

2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 10449409) has the molecular formula C10H9F5N2O3S and a molecular weight of 332.25 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID10449409
Molecular FormulaC10H9F5N2O3S
Molecular Weight332.25 g/mol
Exact Mass332.03
IUPAC Name2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H9F5N2O3S/c11-9(12,10(13,14)15)8(18)17-5-6-1-3-7(4-2-6)21(16,19)20/h1-4H,5H2,(H,17,18)(H2,16,19,20)
InChIKeyJTNKSIGOUTURRR-UHFFFAOYSA-N
XLogP1.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 10449409) is 2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide is NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is JTNKSIGOUTURRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O3S/c11-9(12,10(13,14)15)8(18)17-5-6-1-3-7(4-2-6)21(16,19)20/h1-4H,5H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide?
2,2,3,3,3-pentafluoro-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 332.25 g/mol, XLogP of 1.15, 4 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-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 10449409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).