4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide

C21H16N4O2S — CID 122283678

IUPAC4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C21H16N4O2S/c1-15-5-8-17(20-14-25-11-3-2-4-21(25)23-20)12-19(15)24-28(26,27)18-9-6-16(13-22)7-10-18/h2-12,14,24H,1H3
InChIKeyJMSJIIYWJHBXQJ-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.98
Rot. Bonds4

About 4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide

4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide (PubChem CID 122283678) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide
PubChem CID122283678
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC Name4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C21H16N4O2S/c1-15-5-8-17(20-14-25-11-3-2-4-21(25)23-20)12-19(15)24-28(26,27)18-9-6-16(13-22)7-10-18/h2-12,14,24H,1H3
InChIKeyJMSJIIYWJHBXQJ-UHFFFAOYSA-N
XLogP3.98
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide (CID 122283678) is 4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide is Cc1ccc(-c2cn3ccccc3n2)cc1NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide?
The InChIKey is JMSJIIYWJHBXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c1-15-5-8-17(20-14-25-11-3-2-4-21(25)23-20)12-19(15)24-28(26,27)18-9-6-16(13-22)7-10-18/h2-12,14,24H,1H3.
What are the key properties of 4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide?
4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 122283678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).