N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide

C12H11BrN2O3S — CID 103816000

IUPACN-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cccnc1Br
InChIInChI=1S/C12H11BrN2O3S/c1-18-10-6-2-3-7-11(10)19(16,17)15-9-5-4-8-14-12(9)13/h2-8,15H,1H3
InChIKeyQAOIFIUDQMEXAY-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.65
Rot. Bonds4

About N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide

N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide (PubChem CID 103816000) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
PubChem CID103816000
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC NameN-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cccnc1Br
InChIInChI=1S/C12H11BrN2O3S/c1-18-10-6-2-3-7-11(10)19(16,17)15-9-5-4-8-14-12(9)13/h2-8,15H,1H3
InChIKeyQAOIFIUDQMEXAY-UHFFFAOYSA-N
XLogP2.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide 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

N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113267846
N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide
CID 103816094
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 103816111
5-bromo-N-(2-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032
2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784110
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
2-methoxy-3-[(2-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 168867113

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide (CID 103816000) is N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide?
The InChIKey is QAOIFIUDQMEXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c1-18-10-6-2-3-7-11(10)19(16,17)15-9-5-4-8-14-12(9)13/h2-8,15H,1H3.
What are the key properties of N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide?
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide has a molecular weight of 343.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 103816000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).