3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide

C15H15FN4O2S — CID 71870926

IUPAC3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide
SMILESCc1cn2c(n1)CCC(NS(=O)(=O)c1ccc(F)c(C#N)c1)C2
InChIInChI=1S/C15H15FN4O2S/c1-10-8-20-9-12(2-5-15(20)18-10)19-23(21,22)13-3-4-14(16)11(6-13)7-17/h3-4,6,8,12,19H,2,5,9H2,1H3
InChIKeyXHZHMAZMYXOZON-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.50
Rot. Bonds3

About 3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide

3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide (PubChem CID 71870926) has the molecular formula C15H15FN4O2S and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide
PubChem CID71870926
Molecular FormulaC15H15FN4O2S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide
SMILESCc1cn2c(n1)CCC(NS(=O)(=O)c1ccc(F)c(C#N)c1)C2
InChIInChI=1S/C15H15FN4O2S/c1-10-8-20-9-12(2-5-15(20)18-10)19-23(21,22)13-3-4-14(16)11(6-13)7-17/h3-4,6,8,12,19H,2,5,9H2,1H3
InChIKeyXHZHMAZMYXOZON-UHFFFAOYSA-N
XLogP1.50
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide with MolForge

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Related Compounds

2-methyl-5-[[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]sulfamoyl]benzoic acid
CID 100688114
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 71926432
3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960586
3-cyano-N-(2,2-dimethylcyclopropyl)-4-fluorobenzenesulfonamide
CID 55172697
4-cyano-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide
CID 75434741
4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide
CID 97102028
3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723667
3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64910233
3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172890
4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 106833317
3-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 129005444
3-cyano-4-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722842

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide (CID 71870926) is 3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide is Cc1cn2c(n1)CCC(NS(=O)(=O)c1ccc(F)c(C#N)c1)C2.
What is the InChIKey of 3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide?
The InChIKey is XHZHMAZMYXOZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2S/c1-10-8-20-9-12(2-5-15(20)18-10)19-23(21,22)13-3-4-14(16)11(6-13)7-17/h3-4,6,8,12,19H,2,5,9H2,1H3.
What are the key properties of 3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide?
3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide has a molecular weight of 334.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide is sourced from PubChem (CID 71870926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).