N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide

C9H9BrN4O2S — CID 103775515

IUPACN-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Br)nc2)c1
InChIInChI=1S/C9H9BrN4O2S/c1-14-5-9(12-6-14)17(15,16)13-7-2-3-8(10)11-4-7/h2-6,13H,1H3
InChIKeyOGFXKQDTIFMRHE-UHFFFAOYSA-N
MW317.17 g/mol
LogP1.38
Rot. Bonds3

About N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide

N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide (PubChem CID 103775515) has the molecular formula C9H9BrN4O2S and a molecular weight of 317.17 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
PubChem CID103775515
Molecular FormulaC9H9BrN4O2S
Molecular Weight317.17 g/mol
Exact Mass315.96
IUPAC NameN-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Br)nc2)c1
InChIInChI=1S/C9H9BrN4O2S/c1-14-5-9(12-6-14)17(15,16)13-7-2-3-8(10)11-4-7/h2-6,13H,1H3
InChIKeyOGFXKQDTIFMRHE-UHFFFAOYSA-N
XLogP1.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 114296733
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
CID 103580445
1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 62373633
N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 153363584
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide
CID 62375102
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62374305

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide (CID 103775515) is N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(Br)nc2)c1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is OGFXKQDTIFMRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2S/c1-14-5-9(12-6-14)17(15,16)13-7-2-3-8(10)11-4-7/h2-6,13H,1H3.
What are the key properties of N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide?
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 317.17 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103775515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).