2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide

C10H9ClF3N3O2S2 — CID 51121172

IUPAC2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCSC(F)(F)F)c1c(Cl)nc2ccccn12
InChIInChI=1S/C10H9ClF3N3O2S2/c11-8-9(17-5-2-1-3-7(17)16-8)21(18,19)15-4-6-20-10(12,13)14/h1-3,5,15H,4,6H2
InChIKeyJQWBRGYZJZOYCE-UHFFFAOYSA-N
MW359.78 g/mol
LogP2.52
Rot. Bonds5

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

2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 51121172) has the molecular formula C10H9ClF3N3O2S2 and a molecular weight of 359.78 g/mol. Its IUPAC name is 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID51121172
Molecular FormulaC10H9ClF3N3O2S2
Molecular Weight359.78 g/mol
Exact Mass358.98
IUPAC Name2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCSC(F)(F)F)c1c(Cl)nc2ccccn12
InChIInChI=1S/C10H9ClF3N3O2S2/c11-8-9(17-5-2-1-3-7(17)16-8)21(18,19)15-4-6-20-10(12,13)14/h1-3,5,15H,4,6H2
InChIKeyJQWBRGYZJZOYCE-UHFFFAOYSA-N
XLogP2.52
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 52.52
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 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide (CID 51121172) is 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NCCSC(F)(F)F)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is JQWBRGYZJZOYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O2S2/c11-8-9(17-5-2-1-3-7(17)16-8)21(18,19)15-4-6-20-10(12,13)14/h1-3,5,15H,4,6H2.
What are the key properties of 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 359.78 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 51121172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).