1-cycloheptyl-2-propylimidazole-4-sulfonamide

C13H23N3O2S — CID 82935138

IUPAC1-cycloheptyl-2-propylimidazole-4-sulfonamide
SMILESCCCc1nc(S(N)(=O)=O)cn1C1CCCCCC1
InChIInChI=1S/C13H23N3O2S/c1-2-7-12-15-13(19(14,17)18)10-16(12)11-8-5-3-4-6-9-11/h10-11H,2-9H2,1H3,(H2,14,17,18)
InChIKeyVTOCGJCEJHPJGE-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.38
Rot. Bonds4

About 1-cycloheptyl-2-propylimidazole-4-sulfonamide

1-cycloheptyl-2-propylimidazole-4-sulfonamide (PubChem CID 82935138) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-cycloheptyl-2-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-cycloheptyl-2-propylimidazole-4-sulfonamide
PubChem CID82935138
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-cycloheptyl-2-propylimidazole-4-sulfonamide
SMILESCCCc1nc(S(N)(=O)=O)cn1C1CCCCCC1
InChIInChI=1S/C13H23N3O2S/c1-2-7-12-15-13(19(14,17)18)10-16(12)11-8-5-3-4-6-9-11/h10-11H,2-9H2,1H3,(H2,14,17,18)
InChIKeyVTOCGJCEJHPJGE-UHFFFAOYSA-N
XLogP2.38
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-propylimidazole-4-sulfonamide?
The IUPAC name of 1-cycloheptyl-2-propylimidazole-4-sulfonamide (CID 82935138) is 1-cycloheptyl-2-propylimidazole-4-sulfonamide.
What is the SMILES notation for 1-cycloheptyl-2-propylimidazole-4-sulfonamide?
The canonical SMILES for 1-cycloheptyl-2-propylimidazole-4-sulfonamide is CCCc1nc(S(N)(=O)=O)cn1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-propylimidazole-4-sulfonamide?
The InChIKey is VTOCGJCEJHPJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-2-7-12-15-13(19(14,17)18)10-16(12)11-8-5-3-4-6-9-11/h10-11H,2-9H2,1H3,(H2,14,17,18).
What are the key properties of 1-cycloheptyl-2-propylimidazole-4-sulfonamide?
1-cycloheptyl-2-propylimidazole-4-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-propylimidazole-4-sulfonamide is sourced from PubChem (CID 82935138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).