2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

C25H22F4N4O4S — CID 54592294

IUPAC2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C25H22F4N4O4S/c26-19-14-15(18-4-1-2-6-22(18)38(30,36)37)7-12-20(19)32-23(34)21-5-3-13-33(21)24(35)31-17-10-8-16(9-11-17)25(27,28)29/h1-2,4,6-12,14,21H,3,5,13H2,(H,31,35)(H,32,34)(H2,30,36,37)
InChIKeyZBVYHFLQOVUOMR-UHFFFAOYSA-N
MW550.53 g/mol
LogP4.79
Rot. Bonds5

About 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 54592294) has the molecular formula C25H22F4N4O4S and a molecular weight of 550.53 g/mol. Its IUPAC name is 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID54592294
Molecular FormulaC25H22F4N4O4S
Molecular Weight550.53 g/mol
Exact Mass550.13
IUPAC Name2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C25H22F4N4O4S/c26-19-14-15(18-4-1-2-6-22(18)38(30,36)37)7-12-20(19)32-23(34)21-5-3-13-33(21)24(35)31-17-10-8-16(9-11-17)25(27,28)29/h1-2,4,6-12,14,21H,3,5,13H2,(H,31,35)(H,32,34)(H2,30,36,37)
InChIKeyZBVYHFLQOVUOMR-UHFFFAOYSA-N
XLogP4.79
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.53
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 54592294) is 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is ZBVYHFLQOVUOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N4O4S/c26-19-14-15(18-4-1-2-6-22(18)38(30,36)37)7-12-20(19)32-23(34)21-5-3-13-33(21)24(35)31-17-10-8-16(9-11-17)25(27,28)29/h1-2,4,6-12,14,21H,3,5,13H2,(H,31,35)(H,32,34)(H2,30,36,37).
What are the key properties of 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 550.53 g/mol, XLogP of 4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 54592294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).