1-methylimidazole-4-sulfonamide;hydrochloride

C4H8ClN3O2S — CID 141278244

IUPAC1-methylimidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C4H7N3O2S.ClH/c1-7-2-4(6-3-7)10(5,8)9;/h2-3H,1H3,(H2,5,8,9);1H
InChIKeyJZURWPQOTMPQIS-UHFFFAOYSA-N
MW197.65 g/mol
LogP-0.51
Rot. Bonds1

About 1-methylimidazole-4-sulfonamide;hydrochloride

1-methylimidazole-4-sulfonamide;hydrochloride (PubChem CID 141278244) has the molecular formula C4H8ClN3O2S and a molecular weight of 197.65 g/mol. Its IUPAC name is 1-methylimidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-methylimidazole-4-sulfonamide;hydrochloride
PubChem CID141278244
Molecular FormulaC4H8ClN3O2S
Molecular Weight197.65 g/mol
Exact Mass197.00
IUPAC Name1-methylimidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C4H7N3O2S.ClH/c1-7-2-4(6-3-7)10(5,8)9;/h2-3H,1H3,(H2,5,8,9);1H
InChIKeyJZURWPQOTMPQIS-UHFFFAOYSA-N
XLogP-0.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.65
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

iodo 1-methylimidazole-4-sulfonate
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1-(1-methylimidazol-4-yl)sulfonylpiperazine
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1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
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1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide
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N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
CID 63730763
N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide
CID 15100236
N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 62666691
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984050
N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62375279
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-methylimidazole-4-sulfonamide;hydrochloride (CID 141278244) is 1-methylimidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-methylimidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-methylimidazole-4-sulfonamide;hydrochloride is Cl.Cn1cnc(S(N)(=O)=O)c1.
What is the InChIKey of 1-methylimidazole-4-sulfonamide;hydrochloride?
The InChIKey is JZURWPQOTMPQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2S.ClH/c1-7-2-4(6-3-7)10(5,8)9;/h2-3H,1H3,(H2,5,8,9);1H.
What are the key properties of 1-methylimidazole-4-sulfonamide;hydrochloride?
1-methylimidazole-4-sulfonamide;hydrochloride has a molecular weight of 197.65 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 141278244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).