4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide

C12H9Br2ClN2O2S — CID 81421854

IUPAC4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H9Br2ClN2O2S/c1-7-4-9(14)6-16-12(7)17-20(18,19)11-3-2-8(13)5-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeyFXQVAVZBBDNMAR-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.37
Rot. Bonds3

About 4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide

4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide (PubChem CID 81421854) has the molecular formula C12H9Br2ClN2O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
PubChem CID81421854
Molecular FormulaC12H9Br2ClN2O2S
Molecular Weight440.54 g/mol
Exact Mass437.84
IUPAC Name4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H9Br2ClN2O2S/c1-7-4-9(14)6-16-12(7)17-20(18,19)11-3-2-8(13)5-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeyFXQVAVZBBDNMAR-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-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115731782
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 83170947
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 83167341
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 83166245
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-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62163010
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide (CID 81421854) is 4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide?
The InChIKey is FXQVAVZBBDNMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O2S/c1-7-4-9(14)6-16-12(7)17-20(18,19)11-3-2-8(13)5-10(11)15/h2-6H,1H3,(H,16,17).
What are the key properties of 4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide?
4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide 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 4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 81421854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).