2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide

C16H16FN3O2S — CID 110416171

IUPAC2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1F)NCc1ncc2ccccn12
InChIInChI=1S/C16H16FN3O2S/c17-15-7-2-1-5-13(15)8-10-23(21,22)19-12-16-18-11-14-6-3-4-9-20(14)16/h1-7,9,11,19H,8,10,12H2
InChIKeyZNRHFXDYVWXUNH-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.14
Rot. Bonds6

About 2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide

2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 110416171) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID110416171
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1F)NCc1ncc2ccccn12
InChIInChI=1S/C16H16FN3O2S/c17-15-7-2-1-5-13(15)8-10-23(21,22)19-12-16-18-11-14-6-3-4-9-20(14)16/h1-7,9,11,19H,8,10,12H2
InChIKeyZNRHFXDYVWXUNH-UHFFFAOYSA-N
XLogP2.14
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide (CID 110416171) is 2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide is O=S(=O)(CCc1ccccc1F)NCc1ncc2ccccn12.
What is the InChIKey of 2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is ZNRHFXDYVWXUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c17-15-7-2-1-5-13(15)8-10-23(21,22)19-12-16-18-11-14-6-3-4-9-20(14)16/h1-7,9,11,19H,8,10,12H2.
What are the key properties of 2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide?
2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 333.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 110416171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).