2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide

C17H14F4N2O4S — CID 71859517

IUPAC2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide
SMILESNC(=O)c1cc(S(=O)(=O)NC(=O)CC(c2ccccc2)C(F)(F)F)ccc1F
InChIInChI=1S/C17H14F4N2O4S/c18-14-7-6-11(8-12(14)16(22)25)28(26,27)23-15(24)9-13(17(19,20)21)10-4-2-1-3-5-10/h1-8,13H,9H2,(H2,22,25)(H,23,24)
InChIKeyLJWNBRPSJJLBHA-UHFFFAOYSA-N
MW418.37 g/mol
LogP2.47
Rot. Bonds6

About 2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide

2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide (PubChem CID 71859517) has the molecular formula C17H14F4N2O4S and a molecular weight of 418.37 g/mol. Its IUPAC name is 2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide
PubChem CID71859517
Molecular FormulaC17H14F4N2O4S
Molecular Weight418.37 g/mol
Exact Mass418.06
IUPAC Name2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide
SMILESNC(=O)c1cc(S(=O)(=O)NC(=O)CC(c2ccccc2)C(F)(F)F)ccc1F
InChIInChI=1S/C17H14F4N2O4S/c18-14-7-6-11(8-12(14)16(22)25)28(26,27)23-15(24)9-13(17(19,20)21)10-4-2-1-3-5-10/h1-8,13H,9H2,(H2,22,25)(H,23,24)
InChIKeyLJWNBRPSJJLBHA-UHFFFAOYSA-N
XLogP2.47
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide 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 2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide?
The IUPAC name of 2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide (CID 71859517) is 2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide?
The canonical SMILES for 2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide is NC(=O)c1cc(S(=O)(=O)NC(=O)CC(c2ccccc2)C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide?
The InChIKey is LJWNBRPSJJLBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O4S/c18-14-7-6-11(8-12(14)16(22)25)28(26,27)23-15(24)9-13(17(19,20)21)10-4-2-1-3-5-10/h1-8,13H,9H2,(H2,22,25)(H,23,24).
What are the key properties of 2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide?
2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide has a molecular weight of 418.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide is sourced from PubChem (CID 71859517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).