2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide

C11H11ClF3N3O2S — CID 79037416

IUPAC2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCC(F)(F)F)c1c(Cl)nc2ccccn12
InChIInChI=1S/C11H11ClF3N3O2S/c12-9-10(18-7-2-1-4-8(18)17-9)21(19,20)16-6-3-5-11(13,14)15/h1-2,4,7,16H,3,5-6H2
InChIKeyXHIMRBSULLZPSL-UHFFFAOYSA-N
MW341.74 g/mol
LogP2.61
Rot. Bonds5

About 2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide

2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 79037416) has the molecular formula C11H11ClF3N3O2S and a molecular weight of 341.74 g/mol. Its IUPAC name is 2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID79037416
Molecular FormulaC11H11ClF3N3O2S
Molecular Weight341.74 g/mol
Exact Mass341.02
IUPAC Name2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCC(F)(F)F)c1c(Cl)nc2ccccn12
InChIInChI=1S/C11H11ClF3N3O2S/c12-9-10(18-7-2-1-4-8(18)17-9)21(19,20)16-6-3-5-11(13,14)15/h1-2,4,7,16H,3,5-6H2
InChIKeyXHIMRBSULLZPSL-UHFFFAOYSA-N
XLogP2.61
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 52.61
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 2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 79037416) is 2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NCCCC(F)(F)F)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is XHIMRBSULLZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O2S/c12-9-10(18-7-2-1-4-8(18)17-9)21(19,20)16-6-3-5-11(13,14)15/h1-2,4,7,16H,3,5-6H2.
What are the key properties of 2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 341.74 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 79037416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).