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

C12H9Br2IN2O2S — CID 81326894

IUPAC2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccc(I)cn2)cc1Br
InChIInChI=1S/C12H9Br2IN2O2S/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)
InChIKeyLPZBKQZCJVWXCY-UHFFFAOYSA-N
MW532.00 g/mol
LogP4.32
Rot. Bonds3

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

2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 81326894) has the molecular formula C12H9Br2IN2O2S and a molecular weight of 532.00 g/mol. Its IUPAC name is 2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID81326894
Molecular FormulaC12H9Br2IN2O2S
Molecular Weight532.00 g/mol
Exact Mass529.78
IUPAC Name2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccc(I)cn2)cc1Br
InChIInChI=1S/C12H9Br2IN2O2S/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)
InChIKeyLPZBKQZCJVWXCY-UHFFFAOYSA-N
XLogP4.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.00
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
2,5-dibromo-N-(4-iodophenyl)-4-methylbenzenesulfonamide
CID 81327829
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
CID 116795242
N-(4-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327224
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide
CID 65100563
N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81320241
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683219
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide (CID 81326894) is 2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2ccc(I)cn2)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is LPZBKQZCJVWXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2IN2O2S/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-iodo-2-pyridinyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide has a molecular weight of 532.00 g/mol, XLogP of 4.32, 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-iodo-2-pyridinyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 81326894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).