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

C24H22ClFN4O4S — CID 16749087

IUPAC(2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C24H22ClFN4O4S/c25-16-8-10-17(11-9-16)28-24(32)30-13-3-5-21(30)23(31)29-20-12-7-15(14-19(20)26)18-4-1-2-6-22(18)35(27,33)34/h1-2,4,6-12,14,21H,3,5,13H2,(H,28,32)(H,29,31)(H2,27,33,34)/t21-/m1/s1
InChIKeyBTWQGZKVIXMIOP-OAQYLSRUSA-N
MW516.98 g/mol
LogP4.43
Rot. Bonds5

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

(2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 16749087) has the molecular formula C24H22ClFN4O4S and a molecular weight of 516.98 g/mol. Its IUPAC name is (2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID16749087
Molecular FormulaC24H22ClFN4O4S
Molecular Weight516.98 g/mol
Exact Mass516.10
IUPAC Name(2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C24H22ClFN4O4S/c25-16-8-10-17(11-9-16)28-24(32)30-13-3-5-21(30)23(31)29-20-12-7-15(14-19(20)26)18-4-1-2-6-22(18)35(27,33)34/h1-2,4,6-12,14,21H,3,5,13H2,(H,28,32)(H,29,31)(H2,27,33,34)/t21-/m1/s1
InChIKeyBTWQGZKVIXMIOP-OAQYLSRUSA-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

Analyze (2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

(2r,4r)-N~1~-(4-Chlorophenyl)-N~2~-[3-Fluoro-2'-(Methylsulfonyl)biphenyl-4-Yl]-4-Methoxypyrrolidine-1,2-Dicarboxamide
CID 16741235
4-Substituted Pyrrolidine Ring, 13
CID 16748993
4-Substituted Pyrrolidine Ring, 14
CID 54592297
4-Substituted Pyrrolidine Ring, 20
CID 16749189
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
FPR2 agonist 4
CID 129226961
US10717708, Example 86
CID 129227179

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 16749087) is (2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of (2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is BTWQGZKVIXMIOP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22ClFN4O4S/c25-16-8-10-17(11-9-16)28-24(32)30-13-3-5-21(30)23(31)29-20-12-7-15(14-19(20)26)18-4-1-2-6-22(18)35(27,33)34/h1-2,4,6-12,14,21H,3,5,13H2,(H,28,32)(H,29,31)(H2,27,33,34)/t21-/m1/s1.
What are the key properties of (2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(4-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 (2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 16749087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).