N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide

C12H10BrClN2O3S — CID 104826712

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C12H10BrClN2O3S/c1-19-10-4-2-3-5-11(10)20(17,18)16-8-6-9(13)12(14)15-7-8/h2-7,16H,1H3
InChIKeyANAWGVUOBYICBM-UHFFFAOYSA-N
MW377.65 g/mol
LogP3.31
Rot. Bonds4

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

N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide (PubChem CID 104826712) has the molecular formula C12H10BrClN2O3S and a molecular weight of 377.65 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
PubChem CID104826712
Molecular FormulaC12H10BrClN2O3S
Molecular Weight377.65 g/mol
Exact Mass375.93
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C12H10BrClN2O3S/c1-19-10-4-2-3-5-11(10)20(17,18)16-8-6-9(13)12(14)15-7-8/h2-7,16H,1H3
InChIKeyANAWGVUOBYICBM-UHFFFAOYSA-N
XLogP3.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide
CID 75448368
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide
CID 104826717
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 104826704
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 105055687
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 105055698
N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 104826709

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide (CID 104826712) is N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide?
The InChIKey is ANAWGVUOBYICBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3S/c1-19-10-4-2-3-5-11(10)20(17,18)16-8-6-9(13)12(14)15-7-8/h2-7,16H,1H3.
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide?
N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide has a molecular weight of 377.65 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 104826712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).