5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide

C8H8ClN5O2S — CID 43616156

IUPAC5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cnccn2)c1Cl
InChIInChI=1S/C8H8ClN5O2S/c1-14-5-12-8(7(14)9)17(15,16)13-6-4-10-2-3-11-6/h2-5H,1H3,(H,11,13)
InChIKeyDKKWFUAEYQHRJN-UHFFFAOYSA-N
MW273.71 g/mol
LogP0.66
Rot. Bonds3

About 5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide

5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide (PubChem CID 43616156) has the molecular formula C8H8ClN5O2S and a molecular weight of 273.71 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide
PubChem CID43616156
Molecular FormulaC8H8ClN5O2S
Molecular Weight273.71 g/mol
Exact Mass273.01
IUPAC Name5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cnccn2)c1Cl
InChIInChI=1S/C8H8ClN5O2S/c1-14-5-12-8(7(14)9)17(15,16)13-6-4-10-2-3-11-6/h2-5H,1H3,(H,11,13)
InChIKeyDKKWFUAEYQHRJN-UHFFFAOYSA-N
XLogP0.66
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide
CID 114049410
5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide
CID 43415316
5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide
CID 61051800
5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide
CID 114912153
5-chloro-N-(3,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415229
N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 102846862
5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182
N-(5-bromo-3-methyl-2-pyridinyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 81421377
5-chloro-N-(2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415160
5-chloro-N-(2,3-dichlorophenyl)-1-methylimidazole-4-sulfonamide
CID 43456018
5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
CID 43415198

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide (CID 43616156) is 5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cnccn2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide?
The InChIKey is DKKWFUAEYQHRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O2S/c1-14-5-12-8(7(14)9)17(15,16)13-6-4-10-2-3-11-6/h2-5H,1H3,(H,11,13).
What are the key properties of 5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide?
5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide has a molecular weight of 273.71 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 43616156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).