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

C24H22F2N4O4S — CID 54592296

IUPAC1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)c(F)c1
InChIInChI=1S/C24H22F2N4O4S/c25-17-7-2-3-8-19(17)29-24(32)30-13-5-9-21(30)23(31)28-20-12-11-15(14-18(20)26)16-6-1-4-10-22(16)35(27,33)34/h1-4,6-8,10-12,14,21H,5,9,13H2,(H,28,31)(H,29,32)(H2,27,33,34)
InChIKeyHLAWUHGLWHBBEM-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.91
Rot. Bonds5

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

1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 54592296) has the molecular formula C24H22F2N4O4S and a molecular weight of 500.53 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID54592296
Molecular FormulaC24H22F2N4O4S
Molecular Weight500.53 g/mol
Exact Mass500.13
IUPAC Name1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)c(F)c1
InChIInChI=1S/C24H22F2N4O4S/c25-17-7-2-3-8-19(17)29-24(32)30-13-5-9-21(30)23(31)28-20-12-11-15(14-18(20)26)16-6-1-4-10-22(16)35(27,33)34/h1-4,6-8,10-12,14,21H,5,9,13H2,(H,28,31)(H,29,32)(H2,27,33,34)
InChIKeyHLAWUHGLWHBBEM-UHFFFAOYSA-N
XLogP3.91
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Substituted Pyrrolidine Ring, 1
CID 16749087
4-Substituted Pyrrolidine Ring, 21
CID 16749190
P1 Phenyl Ring, 27
CID 21025981
P1 Phenyl Ring, 24
CID 21025982
P1 Phenyl Ring, 25
CID 21025984
P1 Phenyl Ring, 22
CID 21025990
US10717708, Example 183
CID 129226715
US10717708, Example 66
CID 129226939
US11186544, Example 212
CID 142493723
4-Substituted Pyrrolidine Ring, 17
CID 54592298
4-Substituted Pyrrolidine Ring, 36
CID 54592301
N-(4-{[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl}phenyl)acetamide
CID 2965065

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 54592296) is 1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)c(F)c1.
What is the InChIKey of 1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is HLAWUHGLWHBBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O4S/c25-17-7-2-3-8-19(17)29-24(32)30-13-5-9-21(30)23(31)28-20-12-11-15(14-18(20)26)16-6-1-4-10-22(16)35(27,33)34/h1-4,6-8,10-12,14,21H,5,9,13H2,(H,28,31)(H,29,32)(H2,27,33,34).
What are the key properties of 1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 500.53 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 54592296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).