1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide

C11H17N3O3S — CID 79372684

IUPAC1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC2CCC(=O)CC2)c1
InChIInChI=1S/C11H17N3O3S/c1-2-14-7-11(12-8-14)18(16,17)13-9-3-5-10(15)6-4-9/h7-9,13H,2-6H2,1H3
InChIKeyLMJFXITWQVTWNE-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.69
Rot. Bonds4

About 1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide

1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide (PubChem CID 79372684) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide
PubChem CID79372684
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC2CCC(=O)CC2)c1
InChIInChI=1S/C11H17N3O3S/c1-2-14-7-11(12-8-14)18(16,17)13-9-3-5-10(15)6-4-9/h7-9,13H,2-6H2,1H3
InChIKeyLMJFXITWQVTWNE-UHFFFAOYSA-N
XLogP0.69
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide (CID 79372684) is 1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NC2CCC(=O)CC2)c1.
What is the InChIKey of 1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide?
The InChIKey is LMJFXITWQVTWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-14-7-11(12-8-14)18(16,17)13-9-3-5-10(15)6-4-9/h7-9,13H,2-6H2,1H3.
What are the key properties of 1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide?
1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide is sourced from PubChem (CID 79372684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).