2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

C25H22F4N4O4S — CID 68806042

IUPAC2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C25H22F4N4O4S/c26-19-13-15(18-7-1-2-9-22(18)38(30,36)37)10-11-20(19)32-23(34)21-8-4-12-33(21)24(35)31-17-6-3-5-16(14-17)25(27,28)29/h1-3,5-7,9-11,13-14,21H,4,8,12H2,(H,31,35)(H,32,34)(H2,30,36,37)
InChIKeyWAJFGMGFLKYGLG-UHFFFAOYSA-N
MW550.53 g/mol
LogP4.79
Rot. Bonds5

About 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 68806042) 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-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID68806042
Molecular FormulaC25H22F4N4O4S
Molecular Weight550.53 g/mol
Exact Mass550.13
IUPAC Name2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C25H22F4N4O4S/c26-19-13-15(18-7-1-2-9-22(18)38(30,36)37)10-11-20(19)32-23(34)21-8-4-12-33(21)24(35)31-17-6-3-5-16(14-17)25(27,28)29/h1-3,5-7,9-11,13-14,21H,4,8,12H2,(H,31,35)(H,32,34)(H2,30,36,37)
InChIKeyWAJFGMGFLKYGLG-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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Related Compounds

1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21025983
2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 21025982
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 21026059
2-[[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 22181509
1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
CID 21026122
(2R)-1-N-phenyl-2-N-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51687470
(2R)-1-(2-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487050
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(2R,4S)-1-N-(4-chlorophenyl)-4-fluoro-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 16749090
2-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805912
1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 68808032
(2R,4R)-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-N-(4-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 58619595

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 68806042) is 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is WAJFGMGFLKYGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N4O4S/c26-19-13-15(18-7-1-2-9-22(18)38(30,36)37)10-11-20(19)32-23(34)21-8-4-12-33(21)24(35)31-17-6-3-5-16(14-17)25(27,28)29/h1-3,5-7,9-11,13-14,21H,4,8,12H2,(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-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(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-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 68806042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).