2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide

C12H9Br2ClN2O2S — CID 80707848

IUPAC2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1Br
InChIInChI=1S/C12H9Br2ClN2O2S/c1-7-4-10(14)11(5-9(7)13)20(18,19)17-12-3-2-8(15)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeyGHOXOILCGITGAU-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.37
Rot. Bonds3

About 2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 80707848) has the molecular formula C12H9Br2ClN2O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is 2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID80707848
Molecular FormulaC12H9Br2ClN2O2S
Molecular Weight440.54 g/mol
Exact Mass437.84
IUPAC Name2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1Br
InChIInChI=1S/C12H9Br2ClN2O2S/c1-7-4-10(14)11(5-9(7)13)20(18,19)17-12-3-2-8(15)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeyGHOXOILCGITGAU-UHFFFAOYSA-N
XLogP4.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 81326894
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
CID 116795242
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81428591
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
2,5-dibromo-N-(2,4-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427013
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427019
N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683219
N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide
CID 6473352

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide (CID 80707848) is 2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is GHOXOILCGITGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O2S/c1-7-4-10(14)11(5-9(7)13)20(18,19)17-12-3-2-8(15)6-16-12/h2-6H,1H3,(H,16,17).
What are the key properties of 2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide has a molecular weight of 440.54 g/mol, XLogP of 4.37, 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-chloro-2-pyridinyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 80707848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).