1-methylimidazole-4-sulfonamide

C4H7N3O2S — CID 2736885

IUPAC1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
InChIKeyQBJSSOBNVYDCDQ-UHFFFAOYSA-N
MW161.19 g/mol
LogP-0.93
Rot. Bonds1

About 1-methylimidazole-4-sulfonamide

1-methylimidazole-4-sulfonamide (PubChem CID 2736885) has the molecular formula C4H7N3O2S and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methylimidazole-4-sulfonamide
PubChem CID2736885
Molecular FormulaC4H7N3O2S
Molecular Weight161.19 g/mol
Exact Mass161.03
IUPAC Name1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
InChIKeyQBJSSOBNVYDCDQ-UHFFFAOYSA-N
XLogP-0.93
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole-4-sulfonamide?
The IUPAC name of 1-methylimidazole-4-sulfonamide (CID 2736885) is 1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-methylimidazole-4-sulfonamide is Cn1cnc(S(N)(=O)=O)c1.
What is the InChIKey of 1-methylimidazole-4-sulfonamide?
The InChIKey is QBJSSOBNVYDCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9).
What are the key properties of 1-methylimidazole-4-sulfonamide?
1-methylimidazole-4-sulfonamide has a molecular weight of 161.19 g/mol, XLogP of -0.93, 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 is sourced from PubChem (CID 2736885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).