N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

C19H22BrN3O3S — CID 24982047

IUPACN-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C19H22BrN3O3S/c1-22(2)27(25,26)14-9-10-18(23-11-5-6-12-23)15(13-14)19(24)21-17-8-4-3-7-16(17)20/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,21,24)
InChIKeyXAULMNBZFIICJC-UHFFFAOYSA-N
MW452.37 g/mol
LogP3.55
Rot. Bonds5

About N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 24982047) has the molecular formula C19H22BrN3O3S and a molecular weight of 452.37 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID24982047
Molecular FormulaC19H22BrN3O3S
Molecular Weight452.37 g/mol
Exact Mass451.06
IUPAC NameN-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C19H22BrN3O3S/c1-22(2)27(25,26)14-9-10-18(23-11-5-6-12-23)15(13-14)19(24)21-17-8-4-3-7-16(17)20/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,21,24)
InChIKeyXAULMNBZFIICJC-UHFFFAOYSA-N
XLogP3.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide 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-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 24982047) is N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is XAULMNBZFIICJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3S/c1-22(2)27(25,26)14-9-10-18(23-11-5-6-12-23)15(13-14)19(24)21-17-8-4-3-7-16(17)20/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 452.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 24982047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).