2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide

C9H7F5N2O3S — CID 91742405

IUPAC2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C9H7F5N2O3S/c10-8(11,9(12,13)14)7(17)16-5-1-3-6(4-2-5)20(15,18)19/h1-4H,(H,16,17)(H2,15,18,19)
InChIKeyUMDIWOPABWGUDW-UHFFFAOYSA-N
MW318.22 g/mol
LogP1.47
Rot. Bonds3

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

2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide (PubChem CID 91742405) has the molecular formula C9H7F5N2O3S and a molecular weight of 318.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide
PubChem CID91742405
Molecular FormulaC9H7F5N2O3S
Molecular Weight318.22 g/mol
Exact Mass318.01
IUPAC Name2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C9H7F5N2O3S/c10-8(11,9(12,13)14)7(17)16-5-1-3-6(4-2-5)20(15,18)19/h1-4H,(H,16,17)(H2,15,18,19)
InChIKeyUMDIWOPABWGUDW-UHFFFAOYSA-N
XLogP1.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
CID 532140
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
4-(2,2,3,3,3-pentafluoropropanoylamino)benzoic acid
CID 6612355
N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 532144
N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508841
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114037844
2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 67951859
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 14274634

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide (CID 91742405) is 2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is UMDIWOPABWGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O3S/c10-8(11,9(12,13)14)7(17)16-5-1-3-6(4-2-5)20(15,18)19/h1-4H,(H,16,17)(H2,15,18,19).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide?
2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 318.22 g/mol, XLogP of 1.47, 3 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)propanamide is sourced from PubChem (CID 91742405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).