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

C12H16F2N4O2S — CID 115408551

IUPACN-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCCCNc1nc2ccccn2c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C12H16F2N4O2S/c1-2-6-15-11-12(21(19,20)16-8-9(13)14)18-7-4-3-5-10(18)17-11/h3-5,7,9,15-16H,2,6,8H2,1H3
InChIKeyDSOOLUJJAFBICR-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.70
Rot. Bonds7

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

N-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 115408551) has the molecular formula C12H16F2N4O2S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID115408551
Molecular FormulaC12H16F2N4O2S
Molecular Weight318.35 g/mol
Exact Mass318.10
IUPAC NameN-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCCCNc1nc2ccccn2c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C12H16F2N4O2S/c1-2-6-15-11-12(21(19,20)16-8-9(13)14)18-7-4-3-5-10(18)17-11/h3-5,7,9,15-16H,2,6,8H2,1H3
InChIKeyDSOOLUJJAFBICR-UHFFFAOYSA-N
XLogP1.70
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62150339
2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62143002
2-(methylamino)-N-propylimidazo[1,2-a]pyridine-3-sulfonamide
CID 62150171
2-(ethylamino)-N-(2-methoxypropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 102700463
N-[2-(dimethylamino)ethyl]-2-(ethylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62148649
N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 64583151
2-(ethylamino)-N-pentan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide
CID 62164723
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
2-chloro-N-(2-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62693085
2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 104762785
2-hydrazinyl-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60814826
N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115408553

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide (CID 115408551) is N-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide is CCCNc1nc2ccccn2c1S(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is DSOOLUJJAFBICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O2S/c1-2-6-15-11-12(21(19,20)16-8-9(13)14)18-7-4-3-5-10(18)17-11/h3-5,7,9,15-16H,2,6,8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide?
N-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 318.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 115408551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).