N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide

C28H24BrN5O5S — CID 10211260

IUPACN'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)NC(CC(=O)Nc2ccc(Br)cn2)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C28H24BrN5O5S/c29-20-14-15-25(31-17-20)34-26(35)16-23(28(37)32-21-6-2-1-3-7-21)33-27(36)19-12-10-18(11-13-19)22-8-4-5-9-24(22)40(30,38)39/h1-15,17,23H,16H2,(H,32,37)(H,33,36)(H2,30,38,39)(H,31,34,35)
InChIKeyQDESLFWSLVXYOU-UHFFFAOYSA-N
MW622.50 g/mol
LogP3.92
Rot. Bonds9

About N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide

N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide (PubChem CID 10211260) has the molecular formula C28H24BrN5O5S and a molecular weight of 622.50 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide
PubChem CID10211260
Molecular FormulaC28H24BrN5O5S
Molecular Weight622.50 g/mol
Exact Mass621.07
IUPAC NameN'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)NC(CC(=O)Nc2ccc(Br)cn2)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C28H24BrN5O5S/c29-20-14-15-25(31-17-20)34-26(35)16-23(28(37)32-21-6-2-1-3-7-21)33-27(36)19-12-10-18(11-13-19)22-8-4-5-9-24(22)40(30,38)39/h1-15,17,23H,16H2,(H,32,37)(H,33,36)(H2,30,38,39)(H,31,34,35)
InChIKeyQDESLFWSLVXYOU-UHFFFAOYSA-N
XLogP3.92
TPSA160.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.50
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide?
The IUPAC name of N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide (CID 10211260) is N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide is NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NC(CC(=O)Nc2ccc(Br)cn2)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide?
The InChIKey is QDESLFWSLVXYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrN5O5S/c29-20-14-15-25(31-17-20)34-26(35)16-23(28(37)32-21-6-2-1-3-7-21)33-27(36)19-12-10-18(11-13-19)22-8-4-5-9-24(22)40(30,38)39/h1-15,17,23H,16H2,(H,32,37)(H,33,36)(H2,30,38,39)(H,31,34,35).
What are the key properties of N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide?
N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide has a molecular weight of 622.50 g/mol, XLogP of 3.92, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)-N-phenyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide is sourced from PubChem (CID 10211260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).