2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide

C12H9Br3N2O2S — CID 83170783

IUPAC2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H9Br3N2O2S/c1-7-4-9(14)6-16-12(7)17-20(18,19)11-5-8(13)2-3-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeyYJYANTHZCLVZLP-UHFFFAOYSA-N
MW485.00 g/mol
LogP4.48
Rot. Bonds3

About 2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide

2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 83170783) has the molecular formula C12H9Br3N2O2S and a molecular weight of 485.00 g/mol. Its IUPAC name is 2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID83170783
Molecular FormulaC12H9Br3N2O2S
Molecular Weight485.00 g/mol
Exact Mass481.79
IUPAC Name2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H9Br3N2O2S/c1-7-4-9(14)6-16-12(7)17-20(18,19)11-5-8(13)2-3-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeyYJYANTHZCLVZLP-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

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Related Compounds

4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854
5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62163010
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 83166245
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 81421965
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 61293712
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115731782
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide (CID 83170783) is 2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is YJYANTHZCLVZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br3N2O2S/c1-7-4-9(14)6-16-12(7)17-20(18,19)11-5-8(13)2-3-10(11)15/h2-6H,1H3,(H,16,17).
What are the key properties of 2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide?
2,5-dibromo-N-(5-bromo-3-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-3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 83170783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).