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

C9H8ClF2N3O2S — CID 79089688

IUPAC2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1c(Cl)nc2ccccn12
InChIInChI=1S/C9H8ClF2N3O2S/c10-8-9(18(16,17)13-5-6(11)12)15-4-2-1-3-7(15)14-8/h1-4,6,13H,5H2
InChIKeyOCTOMGCJESBDTP-UHFFFAOYSA-N
MW295.70 g/mol
LogP1.53
Rot. Bonds4

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

2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 79089688) has the molecular formula C9H8ClF2N3O2S and a molecular weight of 295.70 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID79089688
Molecular FormulaC9H8ClF2N3O2S
Molecular Weight295.70 g/mol
Exact Mass295.00
IUPAC Name2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1c(Cl)nc2ccccn12
InChIInChI=1S/C9H8ClF2N3O2S/c10-8-9(18(16,17)13-5-6(11)12)15-4-2-1-3-7(15)14-8/h1-4,6,13H,5H2
InChIKeyOCTOMGCJESBDTP-UHFFFAOYSA-N
XLogP1.53
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 51.53
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-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 79089688) is 2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(NCC(F)F)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is OCTOMGCJESBDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N3O2S/c10-8-9(18(16,17)13-5-6(11)12)15-4-2-1-3-7(15)14-8/h1-4,6,13H,5H2.
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-(2,2-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 295.70 g/mol, XLogP of 1.53, 4 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-difluoroethyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 79089688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).