N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide

C17H18FN3O2S — CID 90570764

IUPACN-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide
SMILESCCN(Cc1cnc2ccccn12)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c1-2-20(12-16-11-19-17-5-3-4-10-21(16)17)24(22,23)13-14-6-8-15(18)9-7-14/h3-11H,2,12-13H2,1H3
InChIKeyFBHUDXQQFCLSAR-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide

N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 90570764) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide
PubChem CID90570764
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC NameN-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide
SMILESCCN(Cc1cnc2ccccn12)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c1-2-20(12-16-11-19-17-5-3-4-10-21(16)17)24(22,23)13-14-6-8-15(18)9-7-14/h3-11H,2,12-13H2,1H3
InChIKeyFBHUDXQQFCLSAR-UHFFFAOYSA-N
XLogP2.83
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide (CID 90570764) is N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide is CCN(Cc1cnc2ccccn12)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is FBHUDXQQFCLSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-2-20(12-16-11-19-17-5-3-4-10-21(16)17)24(22,23)13-14-6-8-15(18)9-7-14/h3-11H,2,12-13H2,1H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide?
N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 347.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 90570764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).