3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide

C9H8F4N2O3S — CID 61132230

IUPAC3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)CC(F)(F)F)c1
InChIInChI=1S/C9H8F4N2O3S/c10-5-1-6(3-7(2-5)19(14,17)18)15-8(16)4-9(11,12)13/h1-3H,4H2,(H,15,16)(H2,14,17,18)
InChIKeyJQAHLFOXFFOXLT-UHFFFAOYSA-N
MW300.23 g/mol
LogP1.36
Rot. Bonds3

About 3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide

3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide (PubChem CID 61132230) has the molecular formula C9H8F4N2O3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide
PubChem CID61132230
Molecular FormulaC9H8F4N2O3S
Molecular Weight300.23 g/mol
Exact Mass300.02
IUPAC Name3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)CC(F)(F)F)c1
InChIInChI=1S/C9H8F4N2O3S/c10-5-1-6(3-7(2-5)19(14,17)18)15-8(16)4-9(11,12)13/h1-3H,4H2,(H,15,16)(H2,14,17,18)
InChIKeyJQAHLFOXFFOXLT-UHFFFAOYSA-N
XLogP1.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-5-sulfamoylphenyl)pentanamide
CID 61132325
N-(3-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61132513
N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide
CID 43246826
N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 61132417
1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
CID 78993821
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 43246591
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide
CID 61132724
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide
CID 55980561
2,5-dichloro-N-(3-fluoro-5-sulfamoylphenyl)thiophene-3-carboxamide
CID 103727937
3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide
CID 63687706

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide (CID 61132230) is 3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide is NS(=O)(=O)c1cc(F)cc(NC(=O)CC(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide?
The InChIKey is JQAHLFOXFFOXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O3S/c10-5-1-6(3-7(2-5)19(14,17)18)15-8(16)4-9(11,12)13/h1-3H,4H2,(H,15,16)(H2,14,17,18).
What are the key properties of 3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide?
3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide has a molecular weight of 300.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide is sourced from PubChem (CID 61132230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).