1-hexyl-2-propylimidazole-4-sulfonamide

C12H23N3O2S — CID 81340476

IUPAC1-hexyl-2-propylimidazole-4-sulfonamide
SMILESCCCCCCn1cc(S(N)(=O)=O)nc1CCC
InChIInChI=1S/C12H23N3O2S/c1-3-5-6-7-9-15-10-12(18(13,16)17)14-11(15)8-4-2/h10H,3-9H2,1-2H3,(H2,13,16,17)
InChIKeyNWMMBWZAGVYZJU-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.06
Rot. Bonds8

About 1-hexyl-2-propylimidazole-4-sulfonamide

1-hexyl-2-propylimidazole-4-sulfonamide (PubChem CID 81340476) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-hexyl-2-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-hexyl-2-propylimidazole-4-sulfonamide
PubChem CID81340476
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-hexyl-2-propylimidazole-4-sulfonamide
SMILESCCCCCCn1cc(S(N)(=O)=O)nc1CCC
InChIInChI=1S/C12H23N3O2S/c1-3-5-6-7-9-15-10-12(18(13,16)17)14-11(15)8-4-2/h10H,3-9H2,1-2H3,(H2,13,16,17)
InChIKeyNWMMBWZAGVYZJU-UHFFFAOYSA-N
XLogP2.06
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-hexyl-2-propylimidazole-4-sulfonamide?
The IUPAC name of 1-hexyl-2-propylimidazole-4-sulfonamide (CID 81340476) is 1-hexyl-2-propylimidazole-4-sulfonamide.
What is the SMILES notation for 1-hexyl-2-propylimidazole-4-sulfonamide?
The canonical SMILES for 1-hexyl-2-propylimidazole-4-sulfonamide is CCCCCCn1cc(S(N)(=O)=O)nc1CCC.
What is the InChIKey of 1-hexyl-2-propylimidazole-4-sulfonamide?
The InChIKey is NWMMBWZAGVYZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-3-5-6-7-9-15-10-12(18(13,16)17)14-11(15)8-4-2/h10H,3-9H2,1-2H3,(H2,13,16,17).
What are the key properties of 1-hexyl-2-propylimidazole-4-sulfonamide?
1-hexyl-2-propylimidazole-4-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-propylimidazole-4-sulfonamide is sourced from PubChem (CID 81340476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).