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

C24H22BrFN4O4S — CID 21025990

IUPAC1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C24H22BrFN4O4S/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)
InChIKeyHICSFOWYIPJAEW-UHFFFAOYSA-N
MW561.43 g/mol
LogP4.54
Rot. Bonds5

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

1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 21025990) has the molecular formula C24H22BrFN4O4S and a molecular weight of 561.43 g/mol. Its IUPAC name is 1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID21025990
Molecular FormulaC24H22BrFN4O4S
Molecular Weight561.43 g/mol
Exact Mass560.05
IUPAC Name1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C24H22BrFN4O4S/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)
InChIKeyHICSFOWYIPJAEW-UHFFFAOYSA-N
XLogP4.54
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.43
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-Substituted Pyrrolidine Ring, 1
CID 16749087
P1 Phenyl Ring, 27
CID 21025981
P1 Phenyl Ring, 24
CID 21025982
P1 Phenyl Ring, 25
CID 21025984
P1 Phenyl Ring, 28
CID 54592291
P1 Phenyl Ring, 30
CID 54592293
P1 Phenyl Ring, 31
CID 54592294
P1 Phenyl Ring, 33
CID 54592296
(2S)-N-phenyl-1-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylpyrrolidine-2-carboxamide
CID 139524511
1-[(3R)-1-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129226710
1-[(3R)-1-[4-[2-(methylsulfamoyl)phenyl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129226990
N-(4-bromophenyl)-2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetamide
CID 1362733

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 21025990) is 1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of 1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is HICSFOWYIPJAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrFN4O4S/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).
What are the key properties of 1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 561.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 21025990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).