N-methyl-1H-imidazole-5-sulfonamide

C4H7N3O2S — CID 54164638

IUPACN-methyl-1H-imidazole-5-sulfonamide
SMILESCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C4H7N3O2S/c1-5-10(8,9)4-2-6-3-7-4/h2-3,5H,1H3,(H,6,7)
InChIKeyOQUFDFYYYYSGLJ-UHFFFAOYSA-N
MW161.19 g/mol
LogP-0.68
Rot. Bonds2

About N-methyl-1H-imidazole-5-sulfonamide

N-methyl-1H-imidazole-5-sulfonamide (PubChem CID 54164638) has the molecular formula C4H7N3O2S and a molecular weight of 161.19 g/mol. Its IUPAC name is N-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-1H-imidazole-5-sulfonamide
PubChem CID54164638
Molecular FormulaC4H7N3O2S
Molecular Weight161.19 g/mol
Exact Mass161.03
IUPAC NameN-methyl-1H-imidazole-5-sulfonamide
SMILESCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C4H7N3O2S/c1-5-10(8,9)4-2-6-3-7-4/h2-3,5H,1H3,(H,6,7)
InChIKeyOQUFDFYYYYSGLJ-UHFFFAOYSA-N
XLogP-0.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-methyl-1H-imidazole-5-sulfonamide (CID 54164638) is N-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-methyl-1H-imidazole-5-sulfonamide is CNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is OQUFDFYYYYSGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2S/c1-5-10(8,9)4-2-6-3-7-4/h2-3,5H,1H3,(H,6,7).
What are the key properties of N-methyl-1H-imidazole-5-sulfonamide?
N-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 161.19 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 54164638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).