N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide

C17H19N3O2S — CID 3367442

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)cc1C
InChIInChI=1S/C17H19N3O2S/c1-13-6-7-16(11-14(13)2)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
InChIKeyILGXNIGYNHHVEP-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.47
Rot. Bonds5

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 3367442) 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)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide
PubChem CID3367442
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)cc1C
InChIInChI=1S/C17H19N3O2S/c1-13-6-7-16(11-14(13)2)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
InChIKeyILGXNIGYNHHVEP-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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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 31843872
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide
CID 171909142
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 7150777
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 16962560
(2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 31844201
1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 31844142
N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 7150790
3,4-dimethyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110718642
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 7150797
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083935
1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-4-sulfonamide
CID 71982158

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide (CID 3367442) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)cc1C.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is ILGXNIGYNHHVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-6-7-16(11-14(13)2)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)-3,4-dimethylbenzenesulfonamide?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-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)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 3367442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).