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

C24H23FN4O4S — CID 21025981

IUPAC2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2)c(F)c1
InChIInChI=1S/C24H23FN4O4S/c25-19-15-16(18-9-4-5-11-22(18)34(26,32)33)12-13-20(19)28-23(30)21-10-6-14-29(21)24(31)27-17-7-2-1-3-8-17/h1-5,7-9,11-13,15,21H,6,10,14H2,(H,27,31)(H,28,30)(H2,26,32,33)
InChIKeyOBQZKTHLYMINJK-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.78
Rot. Bonds5

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

2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 21025981) has the molecular formula C24H23FN4O4S and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID21025981
Molecular FormulaC24H23FN4O4S
Molecular Weight482.54 g/mol
Exact Mass482.14
IUPAC Name2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2)c(F)c1
InChIInChI=1S/C24H23FN4O4S/c25-19-15-16(18-9-4-5-11-22(18)34(26,32)33)12-13-20(19)28-23(30)21-10-6-14-29(21)24(31)27-17-7-2-1-3-8-17/h1-5,7-9,11-13,15,21H,6,10,14H2,(H,27,31)(H,28,30)(H2,26,32,33)
InChIKeyOBQZKTHLYMINJK-UHFFFAOYSA-N
XLogP3.78
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.78
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-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 21025981) is 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2)c(F)c1.
What is the InChIKey of 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is OBQZKTHLYMINJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S/c25-19-15-16(18-9-4-5-11-22(18)34(26,32)33)12-13-20(19)28-23(30)21-10-6-14-29(21)24(31)27-17-7-2-1-3-8-17/h1-5,7-9,11-13,15,21H,6,10,14H2,(H,27,31)(H,28,30)(H2,26,32,33).
What are the key properties of 2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 482.54 g/mol, XLogP of 3.78, 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-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 21025981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).