N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide

C21H20N4O2S — CID 171350897

IUPACN-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cn(Cc3ccccn3)c3ncccc23)cc1
InChIInChI=1S/C21H20N4O2S/c1-2-16-8-10-17(11-9-16)24-28(26,27)20-15-25(14-18-6-3-4-12-22-18)21-19(20)7-5-13-23-21/h3-13,15,24H,2,14H2,1H3
InChIKeyUCLKSBZBBSIDEN-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.84
Rot. Bonds6

About N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 171350897) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID171350897
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cn(Cc3ccccn3)c3ncccc23)cc1
InChIInChI=1S/C21H20N4O2S/c1-2-16-8-10-17(11-9-16)24-28(26,27)20-15-25(14-18-6-3-4-12-22-18)21-19(20)7-5-13-23-21/h3-13,15,24H,2,14H2,1H3
InChIKeyUCLKSBZBBSIDEN-UHFFFAOYSA-N
XLogP3.84
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174101
N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174152
4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982965
N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174112
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832
N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174059
N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174170
N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174001
1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174032
N-(2-chlorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174190
N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174129
N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 86920060

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 171350897) is N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is CCc1ccc(NS(=O)(=O)c2cn(Cc3ccccn3)c3ncccc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is UCLKSBZBBSIDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-2-16-8-10-17(11-9-16)24-28(26,27)20-15-25(14-18-6-3-4-12-22-18)21-19(20)7-5-13-23-21/h3-13,15,24H,2,14H2,1H3.
What are the key properties of N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 171350897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).