1-cyclohexylimidazole-4-sulfonamide

C9H15N3O2S — CID 81340652

IUPAC1-cyclohexylimidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(C2CCCCC2)cn1
InChIInChI=1S/C9H15N3O2S/c10-15(13,14)9-6-12(7-11-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,10,13,14)
InChIKeyQDSVYVSHFAHDCB-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.04
Rot. Bonds2

About 1-cyclohexylimidazole-4-sulfonamide

1-cyclohexylimidazole-4-sulfonamide (PubChem CID 81340652) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-cyclohexylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclohexylimidazole-4-sulfonamide
PubChem CID81340652
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-cyclohexylimidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(C2CCCCC2)cn1
InChIInChI=1S/C9H15N3O2S/c10-15(13,14)9-6-12(7-11-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,10,13,14)
InChIKeyQDSVYVSHFAHDCB-UHFFFAOYSA-N
XLogP1.04
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylimidazole-4-sulfonamide?
The IUPAC name of 1-cyclohexylimidazole-4-sulfonamide (CID 81340652) is 1-cyclohexylimidazole-4-sulfonamide.
What is the SMILES notation for 1-cyclohexylimidazole-4-sulfonamide?
The canonical SMILES for 1-cyclohexylimidazole-4-sulfonamide is NS(=O)(=O)c1cn(C2CCCCC2)cn1.
What is the InChIKey of 1-cyclohexylimidazole-4-sulfonamide?
The InChIKey is QDSVYVSHFAHDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-15(13,14)9-6-12(7-11-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,10,13,14).
What are the key properties of 1-cyclohexylimidazole-4-sulfonamide?
1-cyclohexylimidazole-4-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylimidazole-4-sulfonamide is sourced from PubChem (CID 81340652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).