N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide

C20H19N5O2S — CID 171909142

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2cccc(S(=O)(=O)NCCc3cn4ccccc4n3)c2)cn1
InChIInChI=1S/C20H19N5O2S/c1-15-21-12-17(13-22-15)16-5-4-6-19(11-16)28(26,27)23-9-8-18-14-25-10-3-2-7-20(25)24-18/h2-7,10-14,23H,8-9H2,1H3
InChIKeyWRSSQUUAICGRSR-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.62
Rot. Bonds6

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 171909142) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide
PubChem CID171909142
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2cccc(S(=O)(=O)NCCc3cn4ccccc4n3)c2)cn1
InChIInChI=1S/C20H19N5O2S/c1-15-21-12-17(13-22-15)16-5-4-6-19(11-16)28(26,27)23-9-8-18-14-25-10-3-2-7-20(25)24-18/h2-7,10-14,23H,8-9H2,1H3
InChIKeyWRSSQUUAICGRSR-UHFFFAOYSA-N
XLogP2.62
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 3367442
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 7150777
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 31843872
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-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 7150797
N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 7150790
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4,6-dimethylpyrimidin-2-amine
CID 31537504
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide
CID 90620853
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430428
3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 32831947

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide (CID 171909142) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide is Cc1ncc(-c2cccc(S(=O)(=O)NCCc3cn4ccccc4n3)c2)cn1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is WRSSQUUAICGRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-15-21-12-17(13-22-15)16-5-4-6-19(11-16)28(26,27)23-9-8-18-14-25-10-3-2-7-20(25)24-18/h2-7,10-14,23H,8-9H2,1H3.
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 171909142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).