2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide

C23H24N4O2S — CID 70075216

IUPAC2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide
SMILESCCc1nc2c(C)c(C)c(C)nc2n1-c1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C23H24N4O2S/c1-5-21-26-22-15(3)14(2)16(4)25-23(22)27(21)18-12-10-17(11-13-18)19-8-6-7-9-20(19)30(24,28)29/h6-13H,5H2,1-4H3,(H2,24,28,29)
InChIKeyQETKHTYHWBYVHS-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.22
Rot. Bonds4

About 2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide

2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide (PubChem CID 70075216) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide
PubChem CID70075216
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide
SMILESCCc1nc2c(C)c(C)c(C)nc2n1-c1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C23H24N4O2S/c1-5-21-26-22-15(3)14(2)16(4)25-23(22)27(21)18-12-10-17(11-13-18)19-8-6-7-9-20(19)30(24,28)29/h6-13H,5H2,1-4H3,(H2,24,28,29)
InChIKeyQETKHTYHWBYVHS-UHFFFAOYSA-N
XLogP4.22
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Grapiprant
CID 11677589
MK 996
CID 133031
2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 755364
2,4-Diaminopyrimidine-based antagonist, 8b
CID 11846625
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide
CID 10028460
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylbutanamide
CID 10028545
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide
CID 10390872
butyl N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-propylphenyl]sulfonylcarbamate
CID 9850834
1-methyl-2-(4-tosylpiperazin-1-yl)-1H-benzo[d]imidazole
CID 16812383
N-Cyclohexyl-N-methyl-4-(2-methyl-benzoimidazol-1-ylmethyl)-benzenesulfonamide
CID 44284466
N-(5-(Imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
CID 52936737
N-(5-(3-(Pyridin-4-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52937061

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide (CID 70075216) is 2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide is CCc1nc2c(C)c(C)c(C)nc2n1-c1ccc(-c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is QETKHTYHWBYVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-5-21-26-22-15(3)14(2)16(4)25-23(22)27(21)18-12-10-17(11-13-18)19-8-6-7-9-20(19)30(24,28)29/h6-13H,5H2,1-4H3,(H2,24,28,29).
What are the key properties of 2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide?
2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 420.54 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 70075216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).