N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide

C14H15BrN2O2S — CID 103907913

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)nc2C)c1
InChIInChI=1S/C14H15BrN2O2S/c1-9-4-5-10(2)13(8-9)20(18,19)17-12-6-7-14(15)16-11(12)3/h4-8,17H,1-3H3
InChIKeyFDHBLTIYWNANNJ-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.57
Rot. Bonds3

About N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide

N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 103907913) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
PubChem CID103907913
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)nc2C)c1
InChIInChI=1S/C14H15BrN2O2S/c1-9-4-5-10(2)13(8-9)20(18,19)17-12-6-7-14(15)16-11(12)3/h4-8,17H,1-3H3
InChIKeyFDHBLTIYWNANNJ-UHFFFAOYSA-N
XLogP3.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.57
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

5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 107266690
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(6-bromo-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 103907908
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 113349565
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 113349554
2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774539
N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide
CID 103907930
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 114050710
N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 106831940
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide (CID 103907913) is N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)nc2C)c1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is FDHBLTIYWNANNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-9-4-5-10(2)13(8-9)20(18,19)17-12-6-7-14(15)16-11(12)3/h4-8,17H,1-3H3.
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 103907913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).