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

C9H7ClF3N3O2S — CID 60813963

IUPAC2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1c(Cl)nc2ccccn12
InChIInChI=1S/C9H7ClF3N3O2S/c10-7-8(16-4-2-1-3-6(16)15-7)19(17,18)14-5-9(11,12)13/h1-4,14H,5H2
InChIKeyCGTQBQIWWRAPKL-UHFFFAOYSA-N
MW313.69 g/mol
LogP1.83
Rot. Bonds3

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

2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 60813963) has the molecular formula C9H7ClF3N3O2S and a molecular weight of 313.69 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID60813963
Molecular FormulaC9H7ClF3N3O2S
Molecular Weight313.69 g/mol
Exact Mass312.99
IUPAC Name2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1c(Cl)nc2ccccn12
InChIInChI=1S/C9H7ClF3N3O2S/c10-7-8(16-4-2-1-3-6(16)15-7)19(17,18)14-5-9(11,12)13/h1-4,14H,5H2
InChIKeyCGTQBQIWWRAPKL-UHFFFAOYSA-N
XLogP1.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.69
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 60813963) is 2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NCC(F)(F)F)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is CGTQBQIWWRAPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3O2S/c10-7-8(16-4-2-1-3-6(16)15-7)19(17,18)14-5-9(11,12)13/h1-4,14H,5H2.
What are the key properties of 2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 313.69 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 60813963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).