1,4-dimethylimidazole-2-sulfonamide

C5H9N3O2S — CID 135333041

IUPAC1,4-dimethylimidazole-2-sulfonamide
SMILESCc1cn(C)c(S(N)(=O)=O)n1
InChIInChI=1S/C5H9N3O2S/c1-4-3-8(2)5(7-4)11(6,9)10/h3H,1-2H3,(H2,6,9,10)
InChIKeyDWCXDZRLZQMOHH-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.62
Rot. Bonds1

About 1,4-dimethylimidazole-2-sulfonamide

1,4-dimethylimidazole-2-sulfonamide (PubChem CID 135333041) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 1,4-dimethylimidazole-2-sulfonamide.

Molecular Properties

Compound Name1,4-dimethylimidazole-2-sulfonamide
PubChem CID135333041
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name1,4-dimethylimidazole-2-sulfonamide
SMILESCc1cn(C)c(S(N)(=O)=O)n1
InChIInChI=1S/C5H9N3O2S/c1-4-3-8(2)5(7-4)11(6,9)10/h3H,1-2H3,(H2,6,9,10)
InChIKeyDWCXDZRLZQMOHH-UHFFFAOYSA-N
XLogP-0.62
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole-2-sulfonamide?
The IUPAC name of 1,4-dimethylimidazole-2-sulfonamide (CID 135333041) is 1,4-dimethylimidazole-2-sulfonamide.
What is the SMILES notation for 1,4-dimethylimidazole-2-sulfonamide?
The canonical SMILES for 1,4-dimethylimidazole-2-sulfonamide is Cc1cn(C)c(S(N)(=O)=O)n1.
What is the InChIKey of 1,4-dimethylimidazole-2-sulfonamide?
The InChIKey is DWCXDZRLZQMOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-4-3-8(2)5(7-4)11(6,9)10/h3H,1-2H3,(H2,6,9,10).
What are the key properties of 1,4-dimethylimidazole-2-sulfonamide?
1,4-dimethylimidazole-2-sulfonamide has a molecular weight of 175.21 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole-2-sulfonamide is sourced from PubChem (CID 135333041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).