1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide

C14H18F3N3O3S — CID 23362918

IUPAC1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide
SMILESO=S(=O)(NCCCCCCOc1cccc2nccn12)C(F)(F)F
InChIInChI=1S/C14H18F3N3O3S/c15-14(16,17)24(21,22)19-8-3-1-2-4-11-23-13-7-5-6-12-18-9-10-20(12)13/h5-7,9-10,19H,1-4,8,11H2
InChIKeyKULVKPZXBOSRFY-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.71
Rot. Bonds9

About 1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide

1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide (PubChem CID 23362918) has the molecular formula C14H18F3N3O3S and a molecular weight of 365.38 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide
PubChem CID23362918
Molecular FormulaC14H18F3N3O3S
Molecular Weight365.38 g/mol
Exact Mass365.10
IUPAC Name1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide
SMILESO=S(=O)(NCCCCCCOc1cccc2nccn12)C(F)(F)F
InChIInChI=1S/C14H18F3N3O3S/c15-14(16,17)24(21,22)19-8-3-1-2-4-11-23-13-7-5-6-12-18-9-10-20(12)13/h5-7,9-10,19H,1-4,8,11H2
InChIKeyKULVKPZXBOSRFY-UHFFFAOYSA-N
XLogP2.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.71
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 1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide (CID 23362918) is 1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide is O=S(=O)(NCCCCCCOc1cccc2nccn12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide?
The InChIKey is KULVKPZXBOSRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3S/c15-14(16,17)24(21,22)19-8-3-1-2-4-11-23-13-7-5-6-12-18-9-10-20(12)13/h5-7,9-10,19H,1-4,8,11H2.
What are the key properties of 1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide?
1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide has a molecular weight of 365.38 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(6-imidazo[1,2-a]pyridin-5-yloxyhexyl)methanesulfonamide is sourced from PubChem (CID 23362918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).