3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide

C10H8F6N2O3S — CID 561512

IUPAC3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F6N2O3S/c11-9(12,13)7(10(14,15)16)8(19)18-5-1-3-6(4-2-5)22(17,20)21/h1-4,7H,(H,18,19)(H2,17,20,21)
InChIKeySKFRRPUNXSXVKN-UHFFFAOYSA-N
MW350.24 g/mol
LogP2.01
Rot. Bonds3

About 3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide (PubChem CID 561512) has the molecular formula C10H8F6N2O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide
PubChem CID561512
Molecular FormulaC10H8F6N2O3S
Molecular Weight350.24 g/mol
Exact Mass350.02
IUPAC Name3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F6N2O3S/c11-9(12,13)7(10(14,15)16)8(19)18-5-1-3-6(4-2-5)22(17,20)21/h1-4,7H,(H,18,19)(H2,17,20,21)
InChIKeySKFRRPUNXSXVKN-UHFFFAOYSA-N
XLogP2.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)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 3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide (CID 561512) is 3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide?
The InChIKey is SKFRRPUNXSXVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O3S/c11-9(12,13)7(10(14,15)16)8(19)18-5-1-3-6(4-2-5)22(17,20)21/h1-4,7H,(H,18,19)(H2,17,20,21).
What are the key properties of 3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide has a molecular weight of 350.24 g/mol, XLogP of 2.01, 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-(4-sulfamoylphenyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 561512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).