2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide

C12H9Br3N2O2S — CID 79729131

IUPAC2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)ccc2Br)ncc1Br
InChIInChI=1S/C12H9Br3N2O2S/c1-7-4-12(16-6-10(7)15)17-20(18,19)11-5-8(13)2-3-9(11)14/h2-6H,1H3,(H,16,17)
InChIKeyUOKKSJJRWXUOAL-UHFFFAOYSA-N
MW485.00 g/mol
LogP4.48
Rot. Bonds3

About 2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide

2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 79729131) has the molecular formula C12H9Br3N2O2S and a molecular weight of 485.00 g/mol. Its IUPAC name is 2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID79729131
Molecular FormulaC12H9Br3N2O2S
Molecular Weight485.00 g/mol
Exact Mass481.79
IUPAC Name2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)ccc2Br)ncc1Br
InChIInChI=1S/C12H9Br3N2O2S/c1-7-4-12(16-6-10(7)15)17-20(18,19)11-5-8(13)2-3-9(11)14/h2-6H,1H3,(H,16,17)
InChIKeyUOKKSJJRWXUOAL-UHFFFAOYSA-N
XLogP4.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.00
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide 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

N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 61293712
5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 79736645
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 43327262
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 106070814
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
N-(5-bromo-4-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79736142
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide (CID 79729131) is 2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(Br)ccc2Br)ncc1Br.
What is the InChIKey of 2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is UOKKSJJRWXUOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br3N2O2S/c1-7-4-12(16-6-10(7)15)17-20(18,19)11-5-8(13)2-3-9(11)14/h2-6H,1H3,(H,16,17).
What are the key properties of 2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide?
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 485.00 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 79729131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).