N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide

C17H15F4N3O2S — CID 175901429

IUPACN-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide
SMILESCCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cn2ccccc2n1
InChIInChI=1S/C17H15F4N3O2S/c1-2-24(16(17(19,20)21)12-6-8-13(18)9-7-12)27(25,26)15-11-23-10-4-3-5-14(23)22-15/h3-11,16H,2H2,1H3
InChIKeyBTJLVPXSMVUHAZ-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.79
Rot. Bonds5

About N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide

N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide (PubChem CID 175901429) has the molecular formula C17H15F4N3O2S and a molecular weight of 401.39 g/mol. Its IUPAC name is N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide
PubChem CID175901429
Molecular FormulaC17H15F4N3O2S
Molecular Weight401.39 g/mol
Exact Mass401.08
IUPAC NameN-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide
SMILESCCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cn2ccccc2n1
InChIInChI=1S/C17H15F4N3O2S/c1-2-24(16(17(19,20)21)12-6-8-13(18)9-7-12)27(25,26)15-11-23-10-4-3-5-14(23)22-15/h3-11,16H,2H2,1H3
InChIKeyBTJLVPXSMVUHAZ-UHFFFAOYSA-N
XLogP3.79
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide?
The IUPAC name of N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide (CID 175901429) is N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide?
The canonical SMILES for N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide is CCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cn2ccccc2n1.
What is the InChIKey of N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide?
The InChIKey is BTJLVPXSMVUHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O2S/c1-2-24(16(17(19,20)21)12-6-8-13(18)9-7-12)27(25,26)15-11-23-10-4-3-5-14(23)22-15/h3-11,16H,2H2,1H3.
What are the key properties of N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide?
N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide has a molecular weight of 401.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide is sourced from PubChem (CID 175901429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).