2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide

C13H8BrCl2NO3S — CID 11763954

IUPAC2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H8BrCl2NO3S/c14-12-7-9(16)3-6-11(12)13(18)17-21(19,20)10-4-1-8(15)2-5-10/h1-7H,(H,17,18)
InChIKeyWBQXIIJDZSUXJV-UHFFFAOYSA-N
MW409.09 g/mol
LogP3.87
Rot. Bonds3

About 2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide

2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide (PubChem CID 11763954) has the molecular formula C13H8BrCl2NO3S and a molecular weight of 409.09 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
PubChem CID11763954
Molecular FormulaC13H8BrCl2NO3S
Molecular Weight409.09 g/mol
Exact Mass406.88
IUPAC Name2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H8BrCl2NO3S/c14-12-7-9(16)3-6-11(12)13(18)17-21(19,20)10-4-1-8(15)2-5-10/h1-7H,(H,17,18)
InChIKeyWBQXIIJDZSUXJV-UHFFFAOYSA-N
XLogP3.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.09
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide 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 2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The IUPAC name of 2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide (CID 11763954) is 2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
The InChIKey is WBQXIIJDZSUXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NO3S/c14-12-7-9(16)3-6-11(12)13(18)17-21(19,20)10-4-1-8(15)2-5-10/h1-7H,(H,17,18).
What are the key properties of 2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide?
2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide has a molecular weight of 409.09 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 11763954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).