N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide

C10H11BrN4O2S — CID 81422363

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ncc(Br)cc2C)[nH]1
InChIInChI=1S/C10H11BrN4O2S/c1-6-3-8(11)4-13-10(6)15-18(16,17)9-5-12-7(2)14-9/h3-5H,1-2H3,(H,12,14)(H,13,15)
InChIKeyIWMZWUKUORWRAF-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.98
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide

N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 81422363) has the molecular formula C10H11BrN4O2S and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID81422363
Molecular FormulaC10H11BrN4O2S
Molecular Weight331.20 g/mol
Exact Mass329.98
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ncc(Br)cc2C)[nH]1
InChIInChI=1S/C10H11BrN4O2S/c1-6-3-8(11)4-13-10(6)15-18(16,17)9-5-12-7(2)14-9/h3-5H,1-2H3,(H,12,14)(H,13,15)
InChIKeyIWMZWUKUORWRAF-UHFFFAOYSA-N
XLogP1.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide
CID 62999451
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 83170644
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706
N-(2,6-dibromophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 104922595
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 83166245
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 62998550
2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide (CID 81422363) is N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ncc(Br)cc2C)[nH]1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is IWMZWUKUORWRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2S/c1-6-3-8(11)4-13-10(6)15-18(16,17)9-5-12-7(2)14-9/h3-5H,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 331.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 81422363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).