N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide

C17H19N3O2S — CID 31843872

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCc2cn3ccccc3n2)c1
InChIInChI=1S/C17H19N3O2S/c1-13-6-7-14(2)16(11-13)23(21,22)18-9-8-15-12-20-10-4-3-5-17(20)19-15/h3-7,10-12,18H,8-9H2,1-2H3
InChIKeyBZOFDPQKZAIDLB-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.47
Rot. Bonds5

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 31843872) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide
PubChem CID31843872
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCc2cn3ccccc3n2)c1
InChIInChI=1S/C17H19N3O2S/c1-13-6-7-14(2)16(11-13)23(21,22)18-9-8-15-12-20-10-4-3-5-17(20)19-15/h3-7,10-12,18H,8-9H2,1-2H3
InChIKeyBZOFDPQKZAIDLB-UHFFFAOYSA-N
XLogP2.47
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide (CID 31843872) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCc2cn3ccccc3n2)c1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is BZOFDPQKZAIDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-6-7-14(2)16(11-13)23(21,22)18-9-8-15-12-20-10-4-3-5-17(20)19-15/h3-7,10-12,18H,8-9H2,1-2H3.
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 31843872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).