N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide

C13H13BrN2O2S — CID 114051884

IUPACN-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)Nc2cccnc2Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-9-6-10(2)8-11(7-9)19(17,18)16-12-4-3-5-15-13(12)14/h3-8,16H,1-2H3
InChIKeyRAZMSCRUFLFDQK-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.26
Rot. Bonds3

About N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide

N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide (PubChem CID 114051884) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
PubChem CID114051884
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC NameN-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)Nc2cccnc2Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-9-6-10(2)8-11(7-9)19(17,18)16-12-4-3-5-15-13(12)14/h3-8,16H,1-2H3
InChIKeyRAZMSCRUFLFDQK-UHFFFAOYSA-N
XLogP3.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.26
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-(2-bromo-3-pyridinyl)pyridine-3-sulfonamide
CID 103816034
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
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
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113267846
4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 103816029
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide
CID 103816094
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304016
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide (CID 114051884) is N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)Nc2cccnc2Br)c1.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is RAZMSCRUFLFDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-9-6-10(2)8-11(7-9)19(17,18)16-12-4-3-5-15-13(12)14/h3-8,16H,1-2H3.
What are the key properties of N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide?
N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 114051884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).