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

C25H24F2N4O4S — CID 21025984

IUPAC1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1F
InChIInChI=1S/C25H24F2N4O4S/c1-15-8-10-17(14-19(15)26)29-25(33)31-12-4-6-22(31)24(32)30-21-11-9-16(13-20(21)27)18-5-2-3-7-23(18)36(28,34)35/h2-3,5,7-11,13-14,22H,4,6,12H2,1H3,(H,29,33)(H,30,32)(H2,28,34,35)
InChIKeyXGFPXLVJXYOMIM-UHFFFAOYSA-N
MW514.55 g/mol
LogP4.22
Rot. Bonds5

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

1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 21025984) has the molecular formula C25H24F2N4O4S and a molecular weight of 514.55 g/mol. Its IUPAC name is 1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID21025984
Molecular FormulaC25H24F2N4O4S
Molecular Weight514.55 g/mol
Exact Mass514.15
IUPAC Name1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1F
InChIInChI=1S/C25H24F2N4O4S/c1-15-8-10-17(14-19(15)26)29-25(33)31-12-4-6-22(31)24(32)30-21-11-9-16(13-20(21)27)18-5-2-3-7-23(18)36(28,34)35/h2-3,5,7-11,13-14,22H,4,6,12H2,1H3,(H,29,33)(H,30,32)(H2,28,34,35)
InChIKeyXGFPXLVJXYOMIM-UHFFFAOYSA-N
XLogP4.22
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.55
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 21025984) is 1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1F.
What is the InChIKey of 1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is XGFPXLVJXYOMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O4S/c1-15-8-10-17(14-19(15)26)29-25(33)31-12-4-6-22(31)24(32)30-21-11-9-16(13-20(21)27)18-5-2-3-7-23(18)36(28,34)35/h2-3,5,7-11,13-14,22H,4,6,12H2,1H3,(H,29,33)(H,30,32)(H2,28,34,35).
What are the key properties of 1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 514.55 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluoro-4-methylphenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 21025984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).