N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide

C13H13BrN2O4S — CID 110605160

IUPACN-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)c(OC)c1
InChIInChI=1S/C13H13BrN2O4S/c1-19-10-4-5-12(11(7-10)20-2)21(17,18)16-9-3-6-13(14)15-8-9/h3-8,16H,1-2H3
InChIKeyYPDGHHBRVIAPKX-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.66
Rot. Bonds5

About N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide

N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 110605160) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID110605160
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC NameN-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)c(OC)c1
InChIInChI=1S/C13H13BrN2O4S/c1-19-10-4-5-12(11(7-10)20-2)21(17,18)16-9-3-6-13(14)15-8-9/h3-8,16H,1-2H3
InChIKeyYPDGHHBRVIAPKX-UHFFFAOYSA-N
XLogP2.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113010011
N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 122302182
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010801
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010132
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
N-[5-(cyclopropylamino)-2-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113023785
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide (CID 110605160) is N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)c(OC)c1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is YPDGHHBRVIAPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-19-10-4-5-12(11(7-10)20-2)21(17,18)16-9-3-6-13(14)15-8-9/h3-8,16H,1-2H3.
What are the key properties of N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 373.23 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110605160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).