N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide

C12H9BrCl2N2O2S — CID 104826717

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(Cl)c(Br)c2)c(Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c1-7-2-3-11(10(14)4-7)20(18,19)17-8-5-9(13)12(15)16-6-8/h2-6,17H,1H3
InChIKeyDEJFOVFUBLPQGU-UHFFFAOYSA-N
MW396.09 g/mol
LogP4.26
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide

N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide (PubChem CID 104826717) has the molecular formula C12H9BrCl2N2O2S and a molecular weight of 396.09 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide
PubChem CID104826717
Molecular FormulaC12H9BrCl2N2O2S
Molecular Weight396.09 g/mol
Exact Mass393.89
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(Cl)c(Br)c2)c(Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c1-7-2-3-11(10(14)4-7)20(18,19)17-8-5-9(13)12(15)16-6-8/h2-6,17H,1H3
InChIKeyDEJFOVFUBLPQGU-UHFFFAOYSA-N
XLogP4.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.09
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 104826712
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide
CID 24662871
N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 104826704
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 103278221
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107625055
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 104826709
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide (CID 104826717) is N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnc(Cl)c(Br)c2)c(Cl)c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide?
The InChIKey is DEJFOVFUBLPQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O2S/c1-7-2-3-11(10(14)4-7)20(18,19)17-8-5-9(13)12(15)16-6-8/h2-6,17H,1H3.
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide?
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide has a molecular weight of 396.09 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 104826717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).