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

C24H22ClFN4O4S — CID 54592291

IUPAC1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C24H22ClFN4O4S/c25-16-5-3-6-17(14-16)28-24(32)30-12-4-8-21(30)23(31)29-20-11-10-15(13-19(20)26)18-7-1-2-9-22(18)35(27,33)34/h1-3,5-7,9-11,13-14,21H,4,8,12H2,(H,28,32)(H,29,31)(H2,27,33,34)
InChIKeyWMNYLFGSVLDMGP-UHFFFAOYSA-N
MW516.98 g/mol
LogP4.43
Rot. Bonds5

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

1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 54592291) has the molecular formula C24H22ClFN4O4S and a molecular weight of 516.98 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID54592291
Molecular FormulaC24H22ClFN4O4S
Molecular Weight516.98 g/mol
Exact Mass516.10
IUPAC Name1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C24H22ClFN4O4S/c25-16-5-3-6-17(14-16)28-24(32)30-12-4-8-21(30)23(31)29-20-11-10-15(13-19(20)26)18-7-1-2-9-22(18)35(27,33)34/h1-3,5-7,9-11,13-14,21H,4,8,12H2,(H,28,32)(H,29,31)(H2,27,33,34)
InChIKeyWMNYLFGSVLDMGP-UHFFFAOYSA-N
XLogP4.43
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.98
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 54592291) is 1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is WMNYLFGSVLDMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O4S/c25-16-5-3-6-17(14-16)28-24(32)30-12-4-8-21(30)23(31)29-20-11-10-15(13-19(20)26)18-7-1-2-9-22(18)35(27,33)34/h1-3,5-7,9-11,13-14,21H,4,8,12H2,(H,28,32)(H,29,31)(H2,27,33,34).
What are the key properties of 1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 516.98 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 54592291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).