5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide

C9H16ClN3O3S — CID 43415277

IUPAC5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H16ClN3O3S/c1-3-16-6-4-5-12-17(14,15)9-8(10)13(2)7-11-9/h7,12H,3-6H2,1-2H3
InChIKeyKQLACKHEVGONEG-UHFFFAOYSA-N
MW281.76 g/mol
LogP0.78
Rot. Bonds7

About 5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 43415277) has the molecular formula C9H16ClN3O3S and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide
PubChem CID43415277
Molecular FormulaC9H16ClN3O3S
Molecular Weight281.76 g/mol
Exact Mass281.06
IUPAC Name5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H16ClN3O3S/c1-3-16-6-4-5-12-17(14,15)9-8(10)13(2)7-11-9/h7,12H,3-6H2,1-2H3
InChIKeyKQLACKHEVGONEG-UHFFFAOYSA-N
XLogP0.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide (CID 43415277) is 5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide is CCOCCCNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is KQLACKHEVGONEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O3S/c1-3-16-6-4-5-12-17(14,15)9-8(10)13(2)7-11-9/h7,12H,3-6H2,1-2H3.
What are the key properties of 5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 281.76 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethoxypropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 43415277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).