1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide

C16H19ClFN3O2S — CID 129004950

IUPAC1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide
SMILESCN(CC1CCc2nccn2C1)S(=O)(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN3O2S/c1-20(9-13-3-5-16-19-6-7-21(16)10-13)24(22,23)11-12-2-4-15(18)14(17)8-12/h2,4,6-8,13H,3,5,9-11H2,1H3
InChIKeyXRIYSVNTBFYWFL-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.70
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide

1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide (PubChem CID 129004950) has the molecular formula C16H19ClFN3O2S and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide
PubChem CID129004950
Molecular FormulaC16H19ClFN3O2S
Molecular Weight371.87 g/mol
Exact Mass371.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide
SMILESCN(CC1CCc2nccn2C1)S(=O)(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN3O2S/c1-20(9-13-3-5-16-19-6-7-21(16)10-13)24(22,23)11-12-2-4-15(18)14(17)8-12/h2,4,6-8,13H,3,5,9-11H2,1H3
InChIKeyXRIYSVNTBFYWFL-UHFFFAOYSA-N
XLogP2.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide (CID 129004950) is 1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide is CN(CC1CCc2nccn2C1)S(=O)(=O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide?
The InChIKey is XRIYSVNTBFYWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2S/c1-20(9-13-3-5-16-19-6-7-21(16)10-13)24(22,23)11-12-2-4-15(18)14(17)8-12/h2,4,6-8,13H,3,5,9-11H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide?
1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide has a molecular weight of 371.87 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide is sourced from PubChem (CID 129004950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).