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

C24H21F3N4O4S — CID 21025983

IUPAC1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C24H21F3N4O4S/c25-17-9-8-15(13-18(17)26)29-24(33)31-11-3-5-21(31)23(32)30-20-10-7-14(12-19(20)27)16-4-1-2-6-22(16)36(28,34)35/h1-2,4,6-10,12-13,21H,3,5,11H2,(H,29,33)(H,30,32)(H2,28,34,35)
InChIKeyGYHOCLRRYHTTNJ-UHFFFAOYSA-N
MW518.52 g/mol
LogP4.05
Rot. Bonds5

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

1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 21025983) has the molecular formula C24H21F3N4O4S and a molecular weight of 518.52 g/mol. Its IUPAC name is 1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID21025983
Molecular FormulaC24H21F3N4O4S
Molecular Weight518.52 g/mol
Exact Mass518.12
IUPAC Name1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C24H21F3N4O4S/c25-17-9-8-15(13-18(17)26)29-24(33)31-11-3-5-21(31)23(32)30-20-10-7-14(12-19(20)27)16-4-1-2-6-22(16)36(28,34)35/h1-2,4,6-10,12-13,21H,3,5,11H2,(H,29,33)(H,30,32)(H2,28,34,35)
InChIKeyGYHOCLRRYHTTNJ-UHFFFAOYSA-N
XLogP4.05
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.52
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 21025982
2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 68806042
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 21026059
1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
CID 21026122
1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 68808032
(2R,4S)-1-N-(4-chlorophenyl)-4-fluoro-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 16749090
2-[[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 22181509
(2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-4-oxopyrrolidine-1,2-dicarboxamide
CID 16749189
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-4-(methylamino)pyrrolidine-1,2-dicarboxamide
CID 68807826
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440
4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide
CID 10218167
(2R,4R)-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-N-(4-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 58619595

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 21025983) is 1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(F)c(F)c2)c(F)c1.
What is the InChIKey of 1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is GYHOCLRRYHTTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O4S/c25-17-9-8-15(13-18(17)26)29-24(33)31-11-3-5-21(31)23(32)30-20-10-7-14(12-19(20)27)16-4-1-2-6-22(16)36(28,34)35/h1-2,4,6-10,12-13,21H,3,5,11H2,(H,29,33)(H,30,32)(H2,28,34,35).
What are the key properties of 1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 518.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 21025983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).