3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide

C15H14FN3O3S — CID 6623900

IUPAC3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cn3ccccc3n2)cc1F
InChIInChI=1S/C15H14FN3O3S/c1-22-14-6-5-12(8-13(14)16)23(20,21)17-9-11-10-19-7-3-2-4-15(19)18-11/h2-8,10,17H,9H2,1H3
InChIKeyPAKCFWHTQMTVRH-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.96
Rot. Bonds5

About 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide

3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide (PubChem CID 6623900) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide
PubChem CID6623900
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cn3ccccc3n2)cc1F
InChIInChI=1S/C15H14FN3O3S/c1-22-14-6-5-12(8-13(14)16)23(20,21)17-9-11-10-19-7-3-2-4-15(19)18-11/h2-8,10,17H,9H2,1H3
InChIKeyPAKCFWHTQMTVRH-UHFFFAOYSA-N
XLogP1.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide (CID 6623900) is 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cn3ccccc3n2)cc1F.
What is the InChIKey of 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide?
The InChIKey is PAKCFWHTQMTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-22-14-6-5-12(8-13(14)16)23(20,21)17-9-11-10-19-7-3-2-4-15(19)18-11/h2-8,10,17H,9H2,1H3.
What are the key properties of 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide?
3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 6623900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).