2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide

C12H11BrN2O2S — CID 60824838

IUPAC2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccn2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2S/c1-9-5-6-11(10(13)8-9)18(16,17)15-12-4-2-3-7-14-12/h2-8H,1H3,(H,14,15)
InChIKeyTYRUQXIBKFRGIL-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.95
Rot. Bonds3

About 2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide

2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 60824838) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID60824838
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccn2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2S/c1-9-5-6-11(10(13)8-9)18(16,17)15-12-4-2-3-7-14-12/h2-8H,1H3,(H,14,15)
InChIKeyTYRUQXIBKFRGIL-UHFFFAOYSA-N
XLogP2.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 2809182
2-bromo-N-(3-tert-butylphenyl)-4-methylbenzenesulfonamide
CID 90068343
2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654276
2,3,4,5-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644704
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 35507846
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 54921964
4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 106996553
2-amino-5-bromo-N-pyridin-2-ylpyridine-3-sulfonamide
CID 55044230
2,3,5,6-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 2147472
3-methyl-4-(pyridin-2-ylsulfamoyl)benzenecarbothioamide
CID 106997501

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide (CID 60824838) is 2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccn2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is TYRUQXIBKFRGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-9-5-6-11(10(13)8-9)18(16,17)15-12-4-2-3-7-14-12/h2-8H,1H3,(H,14,15).
What are the key properties of 2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide?
2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 327.20 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 60824838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).