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

C16H16F2N4O2S — CID 129004973

IUPAC4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C16H16F2N4O2S/c1-21(9-12-10-22-5-3-2-4-15(22)20-12)25(23,24)16-13(17)6-11(8-19)7-14(16)18/h6-7,10H,2-5,9H2,1H3
InChIKeyZLNFJVKBOMDGEB-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.19
Rot. Bonds4

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

4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 129004973) has the molecular formula C16H16F2N4O2S and a molecular weight of 366.39 g/mol. Its IUPAC name is 4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID129004973
Molecular FormulaC16H16F2N4O2S
Molecular Weight366.39 g/mol
Exact Mass366.10
IUPAC Name4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C16H16F2N4O2S/c1-21(9-12-10-22-5-3-2-4-15(22)20-12)25(23,24)16-13(17)6-11(8-19)7-14(16)18/h6-7,10H,2-5,9H2,1H3
InChIKeyZLNFJVKBOMDGEB-UHFFFAOYSA-N
XLogP2.19
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide (CID 129004973) is 4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide is CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1c(F)cc(C#N)cc1F.
What is the InChIKey of 4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZLNFJVKBOMDGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2S/c1-21(9-12-10-22-5-3-2-4-15(22)20-12)25(23,24)16-13(17)6-11(8-19)7-14(16)18/h6-7,10H,2-5,9H2,1H3.
What are the key properties of 4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide?
4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 366.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2,6-difluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 129004973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).