N-ethoxy-1-ethylimidazole-4-sulfonamide

C7H13N3O3S — CID 79372849

IUPACN-ethoxy-1-ethylimidazole-4-sulfonamide
SMILESCCONS(=O)(=O)c1cn(CC)cn1
InChIInChI=1S/C7H13N3O3S/c1-3-10-5-7(8-6-10)14(11,12)9-13-4-2/h5-6,9H,3-4H2,1-2H3
InChIKeyGHHCPEQMIAGYTB-UHFFFAOYSA-N
MW219.27 g/mol
LogP0.13
Rot. Bonds5

About N-ethoxy-1-ethylimidazole-4-sulfonamide

N-ethoxy-1-ethylimidazole-4-sulfonamide (PubChem CID 79372849) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-ethoxy-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethoxy-1-ethylimidazole-4-sulfonamide
PubChem CID79372849
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-ethoxy-1-ethylimidazole-4-sulfonamide
SMILESCCONS(=O)(=O)c1cn(CC)cn1
InChIInChI=1S/C7H13N3O3S/c1-3-10-5-7(8-6-10)14(11,12)9-13-4-2/h5-6,9H,3-4H2,1-2H3
InChIKeyGHHCPEQMIAGYTB-UHFFFAOYSA-N
XLogP0.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-ethoxy-1-ethylimidazole-4-sulfonamide (CID 79372849) is N-ethoxy-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-ethoxy-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-ethoxy-1-ethylimidazole-4-sulfonamide is CCONS(=O)(=O)c1cn(CC)cn1.
What is the InChIKey of N-ethoxy-1-ethylimidazole-4-sulfonamide?
The InChIKey is GHHCPEQMIAGYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-3-10-5-7(8-6-10)14(11,12)9-13-4-2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of N-ethoxy-1-ethylimidazole-4-sulfonamide?
N-ethoxy-1-ethylimidazole-4-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 79372849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).