N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide

C11H13BrN4O2S — CID 81422954

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C11H13BrN4O2S/c1-7-4-9(12)5-13-11(7)15-19(17,18)10-6-16(3)8(2)14-10/h4-6H,1-3H3,(H,13,15)
InChIKeyGCLVTNNBBVICGA-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.00
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide

N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 81422954) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID81422954
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C11H13BrN4O2S/c1-7-4-9(12)5-13-11(7)15-19(17,18)10-6-16(3)8(2)14-10/h4-6H,1-3H3,(H,13,15)
InChIKeyGCLVTNNBBVICGA-UHFFFAOYSA-N
XLogP2.00
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 81422727
N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 102671829
N-(5-bromo-3-methyl-2-pyridinyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 81421377
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106076757
N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063485
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
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
N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62061591
N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 81422363
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 83166245
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide (CID 81422954) is N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is GCLVTNNBBVICGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-7-4-9(12)5-13-11(7)15-19(17,18)10-6-16(3)8(2)14-10/h4-6H,1-3H3,(H,13,15).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 81422954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).