2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine

C16H14F2N2O2S — CID 71974623

IUPAC2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine
SMILESCC(c1c(F)cccc1F)S(=O)(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C16H14F2N2O2S/c1-11(16-13(17)5-4-6-14(16)18)23(21,22)10-12-9-20-8-3-2-7-15(20)19-12/h2-9,11H,10H2,1H3
InChIKeyMSVWNXZOPGDVHT-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.29
Rot. Bonds4

About 2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine

2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine (PubChem CID 71974623) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine
PubChem CID71974623
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine
SMILESCC(c1c(F)cccc1F)S(=O)(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C16H14F2N2O2S/c1-11(16-13(17)5-4-6-14(16)18)23(21,22)10-12-9-20-8-3-2-7-15(20)19-12/h2-9,11H,10H2,1H3
InChIKeyMSVWNXZOPGDVHT-UHFFFAOYSA-N
XLogP3.29
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine
CID 71974621
1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanesulfonamide
CID 165442818
(1R)-1-(2-fluorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 81379921
3-imidazo[1,2-a]pyridin-2-yl-2-methylpropan-1-amine
CID 83877207
5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline
CID 81175196
4-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-ol
CID 79422982
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 4701931
2-imidazo[1,2-a]pyridin-2-ylethanamine
CID 7536516
imidazo[1,2-a]pyridin-2-ylmethylazanium
CID 7012186
3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
CID 104831461
2-bromo-6-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 103741882

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine (CID 71974623) is 2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine is CC(c1c(F)cccc1F)S(=O)(=O)Cc1cn2ccccc2n1.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is MSVWNXZOPGDVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c1-11(16-13(17)5-4-6-14(16)18)23(21,22)10-12-9-20-8-3-2-7-15(20)19-12/h2-9,11H,10H2,1H3.
What are the key properties of 2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine?
2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 336.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 71974623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).