3-methylimidazole-4-sulfonamide

C4H7N3O2S — CID 18971486

IUPAC3-methylimidazole-4-sulfonamide
SMILESCn1cncc1S(N)(=O)=O
InChIInChI=1S/C4H7N3O2S/c1-7-3-6-2-4(7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
InChIKeyCUCDEDAWEGQBPY-UHFFFAOYSA-N
MW161.19 g/mol
LogP-0.93
Rot. Bonds1

About 3-methylimidazole-4-sulfonamide

3-methylimidazole-4-sulfonamide (PubChem CID 18971486) has the molecular formula C4H7N3O2S and a molecular weight of 161.19 g/mol. Its IUPAC name is 3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name3-methylimidazole-4-sulfonamide
PubChem CID18971486
Molecular FormulaC4H7N3O2S
Molecular Weight161.19 g/mol
Exact Mass161.03
IUPAC Name3-methylimidazole-4-sulfonamide
SMILESCn1cncc1S(N)(=O)=O
InChIInChI=1S/C4H7N3O2S/c1-7-3-6-2-4(7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
InChIKeyCUCDEDAWEGQBPY-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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Related Compounds

1-methyl-1H-imidazole-4-sulfonamide
CID 2736885
1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
1,2-Dimethylimidazole-4-sulfonyl chloride
CID 2736256
1-methyl-1H-imidazole-4-sulfonyl chloride
CID 2736887
4-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)thiomorpholine
CID 72024489
1-Methyl-1H-imidazole-2-sulfonyl chloride
CID 11658383
1H-imidazole-4-sulfonamide
CID 22747796
1-Methyl-2-methylsulfonylimidazole
CID 333160
1,2-dimethyl-1H-imidazole-5-sulfonyl chloride
CID 2736258
1-methyl-1H-imidazole-5-sulfonyl chloride
CID 2736888
1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2758563
1-methyl-1H-imidazole-2-sulfonamide
CID 15417761

Frequently Asked Questions

What is the IUPAC name of 3-methylimidazole-4-sulfonamide?
The IUPAC name of 3-methylimidazole-4-sulfonamide (CID 18971486) is 3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 3-methylimidazole-4-sulfonamide?
The canonical SMILES for 3-methylimidazole-4-sulfonamide is Cn1cncc1S(N)(=O)=O.
What is the InChIKey of 3-methylimidazole-4-sulfonamide?
The InChIKey is CUCDEDAWEGQBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2S/c1-7-3-6-2-4(7)10(5,8)9/h2-3H,1H3,(H2,5,8,9).
What are the key properties of 3-methylimidazole-4-sulfonamide?
3-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 3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 18971486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).