2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide

C22H22N4O2S — CID 50762350

IUPAC2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCn2c(-c3ccccc3)nc3cccnc32)c1
InChIInChI=1S/C22H22N4O2S/c1-16-10-11-17(2)20(15-16)29(27,28)24-13-14-26-21(18-7-4-3-5-8-18)25-19-9-6-12-23-22(19)26/h3-12,15,24H,13-14H2,1-2H3
InChIKeyYCCGUWTXGITECU-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.69
Rot. Bonds6

About 2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide

2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide (PubChem CID 50762350) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
PubChem CID50762350
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCn2c(-c3ccccc3)nc3cccnc32)c1
InChIInChI=1S/C22H22N4O2S/c1-16-10-11-17(2)20(15-16)29(27,28)24-13-14-26-21(18-7-4-3-5-8-18)25-19-9-6-12-23-22(19)26/h3-12,15,24H,13-14H2,1-2H3
InChIKeyYCCGUWTXGITECU-UHFFFAOYSA-N
XLogP3.69
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide (CID 50762350) is 2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCn2c(-c3ccccc3)nc3cccnc32)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is YCCGUWTXGITECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-16-10-11-17(2)20(15-16)29(27,28)24-13-14-26-21(18-7-4-3-5-8-18)25-19-9-6-12-23-22(19)26/h3-12,15,24H,13-14H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide?
2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 406.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 50762350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).