N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide

C17H19N3O2S — CID 4624246

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cn3ccccc3n2)c(C)c1
InChIInChI=1S/C17H19N3O2S/c1-12-8-13(2)17(14(3)9-12)23(21,22)18-10-15-11-20-7-5-4-6-16(20)19-15/h4-9,11,18H,10H2,1-3H3
InChIKeyNNWXXIOITOHGEQ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.74
Rot. Bonds4

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 4624246) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID4624246
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cn3ccccc3n2)c(C)c1
InChIInChI=1S/C17H19N3O2S/c1-12-8-13(2)17(14(3)9-12)23(21,22)18-10-15-11-20-7-5-4-6-16(20)19-15/h4-9,11,18H,10H2,1-3H3
InChIKeyNNWXXIOITOHGEQ-UHFFFAOYSA-N
XLogP2.74
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide 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 N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide (CID 4624246) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2cn3ccccc3n2)c(C)c1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is NNWXXIOITOHGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-8-13(2)17(14(3)9-12)23(21,22)18-10-15-11-20-7-5-4-6-16(20)19-15/h4-9,11,18H,10H2,1-3H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 4624246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).